4-[[(3S)-3-propoxypiperidin-1-yl]methyl]cyclohexan-1-ol

C15H29NO2 — CID 29254865

IUPAC4-[[(3S)-3-propoxypiperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCCCO[C@H]1CCCN(CC2CCC(O)CC2)C1
InChIInChI=1S/C15H29NO2/c1-2-10-18-15-4-3-9-16(12-15)11-13-5-7-14(17)8-6-13/h13-15,17H,2-12H2,1H3/t13?,14?,15-/m0/s1
InChIKeyGDKDMOCIJMLCJS-NRXISQOPSA-N
MW255.40 g/mol
LogP2.43
Rot. Bonds5

About 4-[[(3S)-3-propoxypiperidin-1-yl]methyl]cyclohexan-1-ol

4-[[(3S)-3-propoxypiperidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 29254865) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-[[(3S)-3-propoxypiperidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(3S)-3-propoxypiperidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID29254865
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-[[(3S)-3-propoxypiperidin-1-yl]methyl]cyclohexan-1-ol
SMILESCCCO[C@H]1CCCN(CC2CCC(O)CC2)C1
InChIInChI=1S/C15H29NO2/c1-2-10-18-15-4-3-9-16(12-15)11-13-5-7-14(17)8-6-13/h13-15,17H,2-12H2,1H3/t13?,14?,15-/m0/s1
InChIKeyGDKDMOCIJMLCJS-NRXISQOPSA-N
XLogP2.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 4-[[(3S)-3-propoxypiperidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(3S)-3-propoxypiperidin-1-yl]methyl]cyclohexan-1-ol (CID 29254865) is 4-[[(3S)-3-propoxypiperidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(3S)-3-propoxypiperidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(3S)-3-propoxypiperidin-1-yl]methyl]cyclohexan-1-ol is CCCO[C@H]1CCCN(CC2CCC(O)CC2)C1.
What is the InChIKey of 4-[[(3S)-3-propoxypiperidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is GDKDMOCIJMLCJS-NRXISQOPSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-10-18-15-4-3-9-16(12-15)11-13-5-7-14(17)8-6-13/h13-15,17H,2-12H2,1H3/t13?,14?,15-/m0/s1.
What are the key properties of 4-[[(3S)-3-propoxypiperidin-1-yl]methyl]cyclohexan-1-ol?
4-[[(3S)-3-propoxypiperidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3S)-3-propoxypiperidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 29254865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).