1,4-dimethylcyclohexan-1-ol;1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-ethyl-4-methylpiperazine;(3S)-1-ethyl-3-methylpyrrolidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;(3S)-3-methylpyrrolidine

C73H157N15O4 — CID 165052461

IUPAC1,4-dimethylcyclohexan-1-ol;1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-ethyl-4-methylpiperazine;(3S)-1-ethyl-3-methylpyrrolidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;(3S)-3-methylpyrrolidine
SMILESCC(=O)N1CCN(C)CC1.CC1CC1.CC1CCC(C)(O)CC1.CC1CCN(C)CC1.CCN1CCN(C)CC1.CCN1CC[C@H](C)C1.CN1CCN(C)C(=O)C1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.C[C@H]1CCN(C)C1.C[C@H]1CCNC1
InChIInChI=1S/C8H16O.C7H14N2O.C7H16N2.2C7H15N.C6H12N2O.C6H14N2.C6H13N.C5H12N2.C5H11NO.C5H11N.C4H8/c1-7-3-5-8(2,9)6-4-7;1-7(10)9-5-3-8(2)4-6-9;1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-3-8-5-4-7(2)6-8;1-7-3-4-8(2)6(9)5-7;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-5-2-3-6-4-5;1-4-2-3-4/h7,9H,3-6H2,1-2H3;3-6H2,1-2H3;3-7H2,1-2H3;2*7H,3-6H2,1-2H3;3-5H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;6H,2-5H2,1H3;2-5H2,1H3;5-6H,2-4H2,1H3;4H,2-3H2,1H3/t;;;;7-;;;6-;;;5-;/m....0..0..0./s1
InChIKeyPWNPKFCWRBQWQS-MVLHMJIPSA-N
MW1309.16 g/mol
LogP6.39
Rot. Bonds2

About 1,4-dimethylcyclohexan-1-ol;1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-ethyl-4-methylpiperazine;(3S)-1-ethyl-3-methylpyrrolidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;(3S)-3-methylpyrrolidine

1,4-dimethylcyclohexan-1-ol;1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-ethyl-4-methylpiperazine;(3S)-1-ethyl-3-methylpyrrolidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;(3S)-3-methylpyrrolidine (PubChem CID 165052461) has the molecular formula C73H157N15O4 and a molecular weight of 1309.16 g/mol. Its IUPAC name is 1,4-dimethylcyclohexan-1-ol;1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-ethyl-4-methylpiperazine;(3S)-1-ethyl-3-methylpyrrolidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;(3S)-3-methylpyrrolidine.

Molecular Properties

Compound Name1,4-dimethylcyclohexan-1-ol;1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-ethyl-4-methylpiperazine;(3S)-1-ethyl-3-methylpyrrolidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;(3S)-3-methylpyrrolidine
PubChem CID165052461
Molecular FormulaC73H157N15O4
Molecular Weight1309.16 g/mol
Exact Mass1308.25
IUPAC Name1,4-dimethylcyclohexan-1-ol;1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-ethyl-4-methylpiperazine;(3S)-1-ethyl-3-methylpyrrolidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;(3S)-3-methylpyrrolidine
SMILESCC(=O)N1CCN(C)CC1.CC1CC1.CC1CCC(C)(O)CC1.CC1CCN(C)CC1.CCN1CCN(C)CC1.CCN1CC[C@H](C)C1.CN1CCN(C)C(=O)C1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.C[C@H]1CCN(C)C1.C[C@H]1CCNC1
InChIInChI=1S/C8H16O.C7H14N2O.C7H16N2.2C7H15N.C6H12N2O.C6H14N2.C6H13N.C5H12N2.C5H11NO.C5H11N.C4H8/c1-7-3-5-8(2,9)6-4-7;1-7(10)9-5-3-8(2)4-6-9;1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-3-8-5-4-7(2)6-8;1-7-3-4-8(2)6(9)5-7;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-5-2-3-6-4-5;1-4-2-3-4/h7,9H,3-6H2,1-2H3;3-6H2,1-2H3;3-7H2,1-2H3;2*7H,3-6H2,1-2H3;3-5H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;6H,2-5H2,1H3;2-5H2,1H3;5-6H,2-4H2,1H3;4H,2-3H2,1H3/t;;;;7-;;;6-;;;5-;/m....0..0..0./s1
InChIKeyPWNPKFCWRBQWQS-MVLHMJIPSA-N
XLogP6.39
TPSA129.78 Ų
H-Bond Donors3
H-Bond Acceptors17
Rotatable Bonds2
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001309.16
LogP ≤ 56.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1017

Analyze 1,4-dimethylcyclohexan-1-ol;1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-ethyl-4-methylpiperazine;(3S)-1-ethyl-3-methylpyrrolidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;(3S)-3-methylpyrrolidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,4-dimethylcyclohexan-1-ol;1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-ethyl-4-methylpiperazine;(3S)-1-ethyl-3-methylpyrrolidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;(3S)-3-methylpyrrolidine?
The IUPAC name of 1,4-dimethylcyclohexan-1-ol;1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-ethyl-4-methylpiperazine;(3S)-1-ethyl-3-methylpyrrolidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;(3S)-3-methylpyrrolidine (CID 165052461) is 1,4-dimethylcyclohexan-1-ol;1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-ethyl-4-methylpiperazine;(3S)-1-ethyl-3-methylpyrrolidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;(3S)-3-methylpyrrolidine.
What is the SMILES notation for 1,4-dimethylcyclohexan-1-ol;1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-ethyl-4-methylpiperazine;(3S)-1-ethyl-3-methylpyrrolidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;(3S)-3-methylpyrrolidine?
The canonical SMILES for 1,4-dimethylcyclohexan-1-ol;1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-ethyl-4-methylpiperazine;(3S)-1-ethyl-3-methylpyrrolidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;(3S)-3-methylpyrrolidine is CC(=O)N1CCN(C)CC1.CC1CC1.CC1CCC(C)(O)CC1.CC1CCN(C)CC1.CCN1CCN(C)CC1.CCN1CC[C@H](C)C1.CN1CCN(C)C(=O)C1.CN1CCN(C)CC1.CN1CCNCC1.CN1CCOCC1.C[C@H]1CCN(C)C1.C[C@H]1CCNC1.
What is the InChIKey of 1,4-dimethylcyclohexan-1-ol;1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-ethyl-4-methylpiperazine;(3S)-1-ethyl-3-methylpyrrolidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;(3S)-3-methylpyrrolidine?
The InChIKey is PWNPKFCWRBQWQS-MVLHMJIPSA-N. The full InChI is InChI=1S/C8H16O.C7H14N2O.C7H16N2.2C7H15N.C6H12N2O.C6H14N2.C6H13N.C5H12N2.C5H11NO.C5H11N.C4H8/c1-7-3-5-8(2,9)6-4-7;1-7(10)9-5-3-8(2)4-6-9;1-3-9-6-4-8(2)5-7-9;1-7-3-5-8(2)6-4-7;1-3-8-5-4-7(2)6-8;1-7-3-4-8(2)6(9)5-7;1-7-3-5-8(2)6-4-7;1-6-3-4-7(2)5-6;1-7-4-2-6-3-5-7;1-6-2-4-7-5-3-6;1-5-2-3-6-4-5;1-4-2-3-4/h7,9H,3-6H2,1-2H3;3-6H2,1-2H3;3-7H2,1-2H3;2*7H,3-6H2,1-2H3;3-5H2,1-2H3;3-6H2,1-2H3;6H,3-5H2,1-2H3;6H,2-5H2,1H3;2-5H2,1H3;5-6H,2-4H2,1H3;4H,2-3H2,1H3/t;;;;7-;;;6-;;;5-;/m....0..0..0./s1.
What are the key properties of 1,4-dimethylcyclohexan-1-ol;1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-ethyl-4-methylpiperazine;(3S)-1-ethyl-3-methylpyrrolidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;(3S)-3-methylpyrrolidine?
1,4-dimethylcyclohexan-1-ol;1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-ethyl-4-methylpiperazine;(3S)-1-ethyl-3-methylpyrrolidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;(3S)-3-methylpyrrolidine has a molecular weight of 1309.16 g/mol, XLogP of 6.39, 2 rotatable bonds, 3 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethylcyclohexan-1-ol;1,4-dimethylpiperazine;1,4-dimethylpiperazin-2-one;1,4-dimethylpiperidine;(3S)-1,3-dimethylpyrrolidine;1-ethyl-4-methylpiperazine;(3S)-1-ethyl-3-methylpyrrolidine;methylcyclopropane;4-methylmorpholine;1-methylpiperazine;1-(4-methylpiperazin-1-yl)ethanone;(3S)-3-methylpyrrolidine is sourced from PubChem (CID 165052461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).