[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol

C17H35N3O — CID 79647008

IUPAC[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(N(C)CC2CCN(C)CC2)C1
InChIInChI=1S/C17H35N3O/c1-4-9-18-17(14-21)8-5-16(12-17)20(3)13-15-6-10-19(2)11-7-15/h15-16,18,21H,4-14H2,1-3H3
InChIKeyOETGQQVGBUAJPY-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.54
Rot. Bonds7

About [3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol

[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol (PubChem CID 79647008) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is [3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol.

Molecular Properties

Compound Name[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol
PubChem CID79647008
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol
SMILESCCCNC1(CO)CCC(N(C)CC2CCN(C)CC2)C1
InChIInChI=1S/C17H35N3O/c1-4-9-18-17(14-21)8-5-16(12-17)20(3)13-15-6-10-19(2)11-7-15/h15-16,18,21H,4-14H2,1-3H3
InChIKeyOETGQQVGBUAJPY-UHFFFAOYSA-N
XLogP1.54
TPSA38.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol?
The IUPAC name of [3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol (CID 79647008) is [3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol.
What is the SMILES notation for [3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol?
The canonical SMILES for [3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol is CCCNC1(CO)CCC(N(C)CC2CCN(C)CC2)C1.
What is the InChIKey of [3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol?
The InChIKey is OETGQQVGBUAJPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-4-9-18-17(14-21)8-5-16(12-17)20(3)13-15-6-10-19(2)11-7-15/h15-16,18,21H,4-14H2,1-3H3.
What are the key properties of [3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol?
[3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol has a molecular weight of 297.49 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]-1-(propylamino)cyclopentyl]methanol is sourced from PubChem (CID 79647008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).