3-(dimethylamino)-1-propan-2-ylpiperidin-4-ol;4-ethyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol

C44H95N7O2 — CID 161104226

IUPAC3-(dimethylamino)-1-propan-2-ylpiperidin-4-ol;4-ethyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(N)CC1.CC(C)N1CCC(O)C(N(C)C)C1.CC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CCC1CCN(C(C)C)CC1
InChIInChI=1S/C10H22N2O.C10H21N.C8H18N2.C8H17NO.C8H17N/c1-8(2)12-6-5-10(13)9(7-12)11(3)4;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-5-3-8(10)4-6-9;1-8(2)9-6-4-3-5-7-9/h8-10,13H,5-7H2,1-4H3;9-10H,4-8H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyUIVHYPTXRXTSPK-UHFFFAOYSA-N
MW754.29 g/mol
LogP6.46
Rot. Bonds7

About 3-(dimethylamino)-1-propan-2-ylpiperidin-4-ol;4-ethyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol

3-(dimethylamino)-1-propan-2-ylpiperidin-4-ol;4-ethyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol (PubChem CID 161104226) has the molecular formula C44H95N7O2 and a molecular weight of 754.29 g/mol. Its IUPAC name is 3-(dimethylamino)-1-propan-2-ylpiperidin-4-ol;4-ethyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name3-(dimethylamino)-1-propan-2-ylpiperidin-4-ol;4-ethyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol
PubChem CID161104226
Molecular FormulaC44H95N7O2
Molecular Weight754.29 g/mol
Exact Mass753.75
IUPAC Name3-(dimethylamino)-1-propan-2-ylpiperidin-4-ol;4-ethyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(N)CC1.CC(C)N1CCC(O)C(N(C)C)C1.CC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CCC1CCN(C(C)C)CC1
InChIInChI=1S/C10H22N2O.C10H21N.C8H18N2.C8H17NO.C8H17N/c1-8(2)12-6-5-10(13)9(7-12)11(3)4;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-5-3-8(10)4-6-9;1-8(2)9-6-4-3-5-7-9/h8-10,13H,5-7H2,1-4H3;9-10H,4-8H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3;8H,3-7H2,1-2H3
InChIKeyUIVHYPTXRXTSPK-UHFFFAOYSA-N
XLogP6.46
TPSA85.92 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500754.29
LogP ≤ 56.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 3-(dimethylamino)-1-propan-2-ylpiperidin-4-ol;4-ethyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1-propan-2-ylpiperidin-4-ol;4-ethyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 3-(dimethylamino)-1-propan-2-ylpiperidin-4-ol;4-ethyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol (CID 161104226) is 3-(dimethylamino)-1-propan-2-ylpiperidin-4-ol;4-ethyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 3-(dimethylamino)-1-propan-2-ylpiperidin-4-ol;4-ethyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 3-(dimethylamino)-1-propan-2-ylpiperidin-4-ol;4-ethyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol is CC(C)N1CCC(N)CC1.CC(C)N1CCC(O)C(N(C)C)C1.CC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CCC1CCN(C(C)C)CC1.
What is the InChIKey of 3-(dimethylamino)-1-propan-2-ylpiperidin-4-ol;4-ethyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol?
The InChIKey is UIVHYPTXRXTSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O.C10H21N.C8H18N2.C8H17NO.C8H17N/c1-8(2)12-6-5-10(13)9(7-12)11(3)4;1-4-10-5-7-11(8-6-10)9(2)3;1-7(2)10-5-3-8(9)4-6-10;1-7(2)9-5-3-8(10)4-6-9;1-8(2)9-6-4-3-5-7-9/h8-10,13H,5-7H2,1-4H3;9-10H,4-8H2,1-3H3;7-8H,3-6,9H2,1-2H3;7-8,10H,3-6H2,1-2H3;8H,3-7H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1-propan-2-ylpiperidin-4-ol;4-ethyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol?
3-(dimethylamino)-1-propan-2-ylpiperidin-4-ol;4-ethyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol has a molecular weight of 754.29 g/mol, XLogP of 6.46, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1-propan-2-ylpiperidin-4-ol;4-ethyl-1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-amine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 161104226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).