(3S)-1,3-dimethylpiperazine;(2S)-3-hydroxy-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one;1-methylpiperazine;4-methylpiperazin-2-one;[(2R)-4-methylpiperazin-2-yl]methanol;(2R)-3-(4-methylpiperazin-1-yl)propane-1,2-diol;1-methylpiperidin-4-amine;4-methylpiperidine

C52H115N15O6 — CID 160978440

IUPAC(3S)-1,3-dimethylpiperazine;(2S)-3-hydroxy-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one;1-methylpiperazine;4-methylpiperazin-2-one;[(2R)-4-methylpiperazin-2-yl]methanol;(2R)-3-(4-methylpiperazin-1-yl)propane-1,2-diol;1-methylpiperidin-4-amine;4-methylpiperidine
SMILESCC1CCNCC1.CN1CCC(N)CC1.CN1CCN(C[C@@H](O)CO)CC1.CN1CCNC(=O)C1.CN1CCNCC1.CN1CCN[C@@H](CO)C1.CN[C@@H](CO)C(=O)N1CCC(C)CC1.C[C@H]1CN(C)CCN1
InChIInChI=1S/C10H20N2O2.C8H18N2O2.C6H14N2O.2C6H14N2.C6H13N.C5H10N2O.C5H12N2/c1-8-3-5-12(6-4-8)10(14)9(7-13)11-2;1-9-2-4-10(5-3-9)6-8(12)7-11;1-8-3-2-7-6(4-8)5-9;1-6-5-8(2)4-3-7-6;1-8-4-2-6(7)3-5-8;1-6-2-4-7-5-3-6;1-7-3-2-6-5(8)4-7;1-7-4-2-6-3-5-7/h8-9,11,13H,3-7H2,1-2H3;8,11-12H,2-7H2,1H3;6-7,9H,2-5H2,1H3;6-7H,3-5H2,1-2H3;6H,2-5,7H2,1H3;6-7H,2-5H2,1H3;2-4H2,1H3,(H,6,8);6H,2-5H2,1H3/t9-;8-;2*6-;;;;/m0110..../s1
InChIKeySZEODHBQAUCFGV-LHLNYPLNSA-N
MW1046.59 g/mol
LogP-3.18
Rot. Bonds7

About (3S)-1,3-dimethylpiperazine;(2S)-3-hydroxy-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one;1-methylpiperazine;4-methylpiperazin-2-one;[(2R)-4-methylpiperazin-2-yl]methanol;(2R)-3-(4-methylpiperazin-1-yl)propane-1,2-diol;1-methylpiperidin-4-amine;4-methylpiperidine

(3S)-1,3-dimethylpiperazine;(2S)-3-hydroxy-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one;1-methylpiperazine;4-methylpiperazin-2-one;[(2R)-4-methylpiperazin-2-yl]methanol;(2R)-3-(4-methylpiperazin-1-yl)propane-1,2-diol;1-methylpiperidin-4-amine;4-methylpiperidine (PubChem CID 160978440) has the molecular formula C52H115N15O6 and a molecular weight of 1046.59 g/mol. Its IUPAC name is (3S)-1,3-dimethylpiperazine;(2S)-3-hydroxy-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one;1-methylpiperazine;4-methylpiperazin-2-one;[(2R)-4-methylpiperazin-2-yl]methanol;(2R)-3-(4-methylpiperazin-1-yl)propane-1,2-diol;1-methylpiperidin-4-amine;4-methylpiperidine.

Molecular Properties

Compound Name(3S)-1,3-dimethylpiperazine;(2S)-3-hydroxy-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one;1-methylpiperazine;4-methylpiperazin-2-one;[(2R)-4-methylpiperazin-2-yl]methanol;(2R)-3-(4-methylpiperazin-1-yl)propane-1,2-diol;1-methylpiperidin-4-amine;4-methylpiperidine
PubChem CID160978440
Molecular FormulaC52H115N15O6
Molecular Weight1046.59 g/mol
Exact Mass1045.92
IUPAC Name(3S)-1,3-dimethylpiperazine;(2S)-3-hydroxy-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one;1-methylpiperazine;4-methylpiperazin-2-one;[(2R)-4-methylpiperazin-2-yl]methanol;(2R)-3-(4-methylpiperazin-1-yl)propane-1,2-diol;1-methylpiperidin-4-amine;4-methylpiperidine
SMILESCC1CCNCC1.CN1CCC(N)CC1.CN1CCN(C[C@@H](O)CO)CC1.CN1CCNC(=O)C1.CN1CCNCC1.CN1CCN[C@@H](CO)C1.CN[C@@H](CO)C(=O)N1CCC(C)CC1.C[C@H]1CN(C)CCN1
InChIInChI=1S/C10H20N2O2.C8H18N2O2.C6H14N2O.2C6H14N2.C6H13N.C5H10N2O.C5H12N2/c1-8-3-5-12(6-4-8)10(14)9(7-13)11-2;1-9-2-4-10(5-3-9)6-8(12)7-11;1-8-3-2-7-6(4-8)5-9;1-6-5-8(2)4-3-7-6;1-8-4-2-6(7)3-5-8;1-6-2-4-7-5-3-6;1-7-3-2-6-5(8)4-7;1-7-4-2-6-3-5-7/h8-9,11,13H,3-7H2,1-2H3;8,11-12H,2-7H2,1H3;6-7,9H,2-5H2,1H3;6-7H,3-5H2,1-2H3;6H,2-5,7H2,1H3;6-7H,2-5H2,1H3;2-4H2,1H3,(H,6,8);6H,2-5H2,1H3/t9-;8-;2*6-;;;;/m0110..../s1
InChIKeySZEODHBQAUCFGV-LHLNYPLNSA-N
XLogP-3.18
TPSA239.18 Ų
H-Bond Donors11
H-Bond Acceptors19
Rotatable Bonds7
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001046.59
LogP ≤ 5-3.18
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1019

Analyze (3S)-1,3-dimethylpiperazine;(2S)-3-hydroxy-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one;1-methylpiperazine;4-methylpiperazin-2-one;[(2R)-4-methylpiperazin-2-yl]methanol;(2R)-3-(4-methylpiperazin-1-yl)propane-1,2-diol;1-methylpiperidin-4-amine;4-methylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of (3S)-1,3-dimethylpiperazine;(2S)-3-hydroxy-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one;1-methylpiperazine;4-methylpiperazin-2-one;[(2R)-4-methylpiperazin-2-yl]methanol;(2R)-3-(4-methylpiperazin-1-yl)propane-1,2-diol;1-methylpiperidin-4-amine;4-methylpiperidine?
The IUPAC name of (3S)-1,3-dimethylpiperazine;(2S)-3-hydroxy-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one;1-methylpiperazine;4-methylpiperazin-2-one;[(2R)-4-methylpiperazin-2-yl]methanol;(2R)-3-(4-methylpiperazin-1-yl)propane-1,2-diol;1-methylpiperidin-4-amine;4-methylpiperidine (CID 160978440) is (3S)-1,3-dimethylpiperazine;(2S)-3-hydroxy-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one;1-methylpiperazine;4-methylpiperazin-2-one;[(2R)-4-methylpiperazin-2-yl]methanol;(2R)-3-(4-methylpiperazin-1-yl)propane-1,2-diol;1-methylpiperidin-4-amine;4-methylpiperidine.
What is the SMILES notation for (3S)-1,3-dimethylpiperazine;(2S)-3-hydroxy-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one;1-methylpiperazine;4-methylpiperazin-2-one;[(2R)-4-methylpiperazin-2-yl]methanol;(2R)-3-(4-methylpiperazin-1-yl)propane-1,2-diol;1-methylpiperidin-4-amine;4-methylpiperidine?
The canonical SMILES for (3S)-1,3-dimethylpiperazine;(2S)-3-hydroxy-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one;1-methylpiperazine;4-methylpiperazin-2-one;[(2R)-4-methylpiperazin-2-yl]methanol;(2R)-3-(4-methylpiperazin-1-yl)propane-1,2-diol;1-methylpiperidin-4-amine;4-methylpiperidine is CC1CCNCC1.CN1CCC(N)CC1.CN1CCN(C[C@@H](O)CO)CC1.CN1CCNC(=O)C1.CN1CCNCC1.CN1CCN[C@@H](CO)C1.CN[C@@H](CO)C(=O)N1CCC(C)CC1.C[C@H]1CN(C)CCN1.
What is the InChIKey of (3S)-1,3-dimethylpiperazine;(2S)-3-hydroxy-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one;1-methylpiperazine;4-methylpiperazin-2-one;[(2R)-4-methylpiperazin-2-yl]methanol;(2R)-3-(4-methylpiperazin-1-yl)propane-1,2-diol;1-methylpiperidin-4-amine;4-methylpiperidine?
The InChIKey is SZEODHBQAUCFGV-LHLNYPLNSA-N. The full InChI is InChI=1S/C10H20N2O2.C8H18N2O2.C6H14N2O.2C6H14N2.C6H13N.C5H10N2O.C5H12N2/c1-8-3-5-12(6-4-8)10(14)9(7-13)11-2;1-9-2-4-10(5-3-9)6-8(12)7-11;1-8-3-2-7-6(4-8)5-9;1-6-5-8(2)4-3-7-6;1-8-4-2-6(7)3-5-8;1-6-2-4-7-5-3-6;1-7-3-2-6-5(8)4-7;1-7-4-2-6-3-5-7/h8-9,11,13H,3-7H2,1-2H3;8,11-12H,2-7H2,1H3;6-7,9H,2-5H2,1H3;6-7H,3-5H2,1-2H3;6H,2-5,7H2,1H3;6-7H,2-5H2,1H3;2-4H2,1H3,(H,6,8);6H,2-5H2,1H3/t9-;8-;2*6-;;;;/m0110..../s1.
What are the key properties of (3S)-1,3-dimethylpiperazine;(2S)-3-hydroxy-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one;1-methylpiperazine;4-methylpiperazin-2-one;[(2R)-4-methylpiperazin-2-yl]methanol;(2R)-3-(4-methylpiperazin-1-yl)propane-1,2-diol;1-methylpiperidin-4-amine;4-methylpiperidine?
(3S)-1,3-dimethylpiperazine;(2S)-3-hydroxy-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one;1-methylpiperazine;4-methylpiperazin-2-one;[(2R)-4-methylpiperazin-2-yl]methanol;(2R)-3-(4-methylpiperazin-1-yl)propane-1,2-diol;1-methylpiperidin-4-amine;4-methylpiperidine has a molecular weight of 1046.59 g/mol, XLogP of -3.18, 7 rotatable bonds, 11 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1,3-dimethylpiperazine;(2S)-3-hydroxy-2-(methylamino)-1-(4-methylpiperidin-1-yl)propan-1-one;1-methylpiperazine;4-methylpiperazin-2-one;[(2R)-4-methylpiperazin-2-yl]methanol;(2R)-3-(4-methylpiperazin-1-yl)propane-1,2-diol;1-methylpiperidin-4-amine;4-methylpiperidine is sourced from PubChem (CID 160978440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).