(2S)-1-cyclopentyl-3-(4-ethoxypiperidin-1-yl)propan-2-ol

C15H29NO2 — CID 99826157

IUPAC(2S)-1-cyclopentyl-3-(4-ethoxypiperidin-1-yl)propan-2-ol
SMILESCCOC1CCN(C[C@@H](O)CC2CCCC2)CC1
InChIInChI=1S/C15H29NO2/c1-2-18-15-7-9-16(10-8-15)12-14(17)11-13-5-3-4-6-13/h13-15,17H,2-12H2,1H3/t14-/m0/s1
InChIKeyBXMXZKOQKMTWLW-AWEZNQCLSA-N
MW255.40 g/mol
LogP2.43
Rot. Bonds6

About (2S)-1-cyclopentyl-3-(4-ethoxypiperidin-1-yl)propan-2-ol

(2S)-1-cyclopentyl-3-(4-ethoxypiperidin-1-yl)propan-2-ol (PubChem CID 99826157) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is (2S)-1-cyclopentyl-3-(4-ethoxypiperidin-1-yl)propan-2-ol.

Molecular Properties

Compound Name(2S)-1-cyclopentyl-3-(4-ethoxypiperidin-1-yl)propan-2-ol
PubChem CID99826157
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name(2S)-1-cyclopentyl-3-(4-ethoxypiperidin-1-yl)propan-2-ol
SMILESCCOC1CCN(C[C@@H](O)CC2CCCC2)CC1
InChIInChI=1S/C15H29NO2/c1-2-18-15-7-9-16(10-8-15)12-14(17)11-13-5-3-4-6-13/h13-15,17H,2-12H2,1H3/t14-/m0/s1
InChIKeyBXMXZKOQKMTWLW-AWEZNQCLSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Methylcyclopentyloxy)-1-piperidylpropan-2-ol
CID 16456363
1-((2-Methylcyclopentyl)oxy)-3-(piperidin-1-yl)propan-2-ol hydrochloride
CID 18592904
1-((2-Methylcyclopentyl)oxy)-3-(4-methylpiperidin-1-yl)propan-2-ol hydrochloride
CID 18592907
3-Methyl-1-[4-(oxan-4-yl)butyl]piperidin-4-ol
CID 121525011
3-(2-Ethylhexyl)-4-morpholineethanol
CID 57710197
1-Cyclopentyl-3-[3-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103160087
1-Cyclopentyl-3-[4-(trifluoromethyl)piperidin-1-yl]propan-2-ol
CID 103160088
2-(3,3-Difluorocyclopentyl)-1-(4-ethylmorpholin-2-yl)ethanol
CID 114224708
2-[1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperidin-2-yl]cyclopentan-1-ol
CID 114340242
1-[2-(4-Morpholinyl)cyclopentyl]ethanol
CID 4608810
2-(1-Morpholin-4-ylethyl)cyclohexan-1-ol
CID 3628448
1-(2-Morpholin-4-ylethyl)cyclopentan-1-ol
CID 14044363

Frequently Asked Questions

What is the IUPAC name of (2S)-1-cyclopentyl-3-(4-ethoxypiperidin-1-yl)propan-2-ol?
The IUPAC name of (2S)-1-cyclopentyl-3-(4-ethoxypiperidin-1-yl)propan-2-ol (CID 99826157) is (2S)-1-cyclopentyl-3-(4-ethoxypiperidin-1-yl)propan-2-ol.
What is the SMILES notation for (2S)-1-cyclopentyl-3-(4-ethoxypiperidin-1-yl)propan-2-ol?
The canonical SMILES for (2S)-1-cyclopentyl-3-(4-ethoxypiperidin-1-yl)propan-2-ol is CCOC1CCN(C[C@@H](O)CC2CCCC2)CC1.
What is the InChIKey of (2S)-1-cyclopentyl-3-(4-ethoxypiperidin-1-yl)propan-2-ol?
The InChIKey is BXMXZKOQKMTWLW-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-18-15-7-9-16(10-8-15)12-14(17)11-13-5-3-4-6-13/h13-15,17H,2-12H2,1H3/t14-/m0/s1.
What are the key properties of (2S)-1-cyclopentyl-3-(4-ethoxypiperidin-1-yl)propan-2-ol?
(2S)-1-cyclopentyl-3-(4-ethoxypiperidin-1-yl)propan-2-ol has a molecular weight of 255.40 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-cyclopentyl-3-(4-ethoxypiperidin-1-yl)propan-2-ol is sourced from PubChem (CID 99826157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).