[(3S,4S)-1-cyclopentyl-3-(dimethylamino)piperidin-4-yl]methanol

C13H26N2O — CID 110197514

IUPAC[(3S,4S)-1-cyclopentyl-3-(dimethylamino)piperidin-4-yl]methanol
SMILESCN(C)[C@@H]1CN(C2CCCC2)CC[C@@H]1CO
InChIInChI=1S/C13H26N2O/c1-14(2)13-9-15(8-7-11(13)10-16)12-5-3-4-6-12/h11-13,16H,3-10H2,1-2H3/t11-,13-/m1/s1
InChIKeyZVWCTPUFBNFJKA-DGCLKSJQSA-N
MW226.36 g/mol
LogP1.17
Rot. Bonds3

About [(3S,4S)-1-cyclopentyl-3-(dimethylamino)piperidin-4-yl]methanol

[(3S,4S)-1-cyclopentyl-3-(dimethylamino)piperidin-4-yl]methanol (PubChem CID 110197514) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [(3S,4S)-1-cyclopentyl-3-(dimethylamino)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[(3S,4S)-1-cyclopentyl-3-(dimethylamino)piperidin-4-yl]methanol
PubChem CID110197514
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[(3S,4S)-1-cyclopentyl-3-(dimethylamino)piperidin-4-yl]methanol
SMILESCN(C)[C@@H]1CN(C2CCCC2)CC[C@@H]1CO
InChIInChI=1S/C13H26N2O/c1-14(2)13-9-15(8-7-11(13)10-16)12-5-3-4-6-12/h11-13,16H,3-10H2,1-2H3/t11-,13-/m1/s1
InChIKeyZVWCTPUFBNFJKA-DGCLKSJQSA-N
XLogP1.17
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-1-cyclopentyl-3-(dimethylamino)piperidin-4-yl]methanol?
The IUPAC name of [(3S,4S)-1-cyclopentyl-3-(dimethylamino)piperidin-4-yl]methanol (CID 110197514) is [(3S,4S)-1-cyclopentyl-3-(dimethylamino)piperidin-4-yl]methanol.
What is the SMILES notation for [(3S,4S)-1-cyclopentyl-3-(dimethylamino)piperidin-4-yl]methanol?
The canonical SMILES for [(3S,4S)-1-cyclopentyl-3-(dimethylamino)piperidin-4-yl]methanol is CN(C)[C@@H]1CN(C2CCCC2)CC[C@@H]1CO.
What is the InChIKey of [(3S,4S)-1-cyclopentyl-3-(dimethylamino)piperidin-4-yl]methanol?
The InChIKey is ZVWCTPUFBNFJKA-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H26N2O/c1-14(2)13-9-15(8-7-11(13)10-16)12-5-3-4-6-12/h11-13,16H,3-10H2,1-2H3/t11-,13-/m1/s1.
What are the key properties of [(3S,4S)-1-cyclopentyl-3-(dimethylamino)piperidin-4-yl]methanol?
[(3S,4S)-1-cyclopentyl-3-(dimethylamino)piperidin-4-yl]methanol has a molecular weight of 226.36 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-1-cyclopentyl-3-(dimethylamino)piperidin-4-yl]methanol is sourced from PubChem (CID 110197514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).