phenyl-(1-piperidin-1-ylcyclohexyl)methanol;hydrochloride

C18H28ClNO — CID 3063738

IUPACphenyl-(1-piperidin-1-ylcyclohexyl)methanol;hydrochloride
SMILESCl.OC(c1ccccc1)C1(N2CCCCC2)CCCCC1
InChIInChI=1S/C18H27NO.ClH/c20-17(16-10-4-1-5-11-16)18(12-6-2-7-13-18)19-14-8-3-9-15-19;/h1,4-5,10-11,17,20H,2-3,6-9,12-15H2;1H
InChIKeyWORBSBBQKPBXNN-UHFFFAOYSA-N
MW309.88 g/mol
LogP4.33
Rot. Bonds3

About phenyl-(1-piperidin-1-ylcyclohexyl)methanol;hydrochloride

phenyl-(1-piperidin-1-ylcyclohexyl)methanol;hydrochloride (PubChem CID 3063738) has the molecular formula C18H28ClNO and a molecular weight of 309.88 g/mol. Its IUPAC name is phenyl-(1-piperidin-1-ylcyclohexyl)methanol;hydrochloride.

Molecular Properties

Compound Namephenyl-(1-piperidin-1-ylcyclohexyl)methanol;hydrochloride
PubChem CID3063738
Molecular FormulaC18H28ClNO
Molecular Weight309.88 g/mol
Exact Mass309.19
IUPAC Namephenyl-(1-piperidin-1-ylcyclohexyl)methanol;hydrochloride
SMILESCl.OC(c1ccccc1)C1(N2CCCCC2)CCCCC1
InChIInChI=1S/C18H27NO.ClH/c20-17(16-10-4-1-5-11-16)18(12-6-2-7-13-18)19-14-8-3-9-15-19;/h1,4-5,10-11,17,20H,2-3,6-9,12-15H2;1H
InChIKeyWORBSBBQKPBXNN-UHFFFAOYSA-N
XLogP4.33
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.88
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 5572
Pridinol
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CID 66007
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Eliprodil
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Diphenidol Hydrochloride
CID 66266
Pipradrol
CID 10083
Glemanserin
CID 71781
N-Methylephedrine
CID 4374
Methylephedrine
CID 64782
Hexocyclium
CID 24199
(-)-Vesamicol
CID 659840

Frequently Asked Questions

What is the IUPAC name of phenyl-(1-piperidin-1-ylcyclohexyl)methanol;hydrochloride?
The IUPAC name of phenyl-(1-piperidin-1-ylcyclohexyl)methanol;hydrochloride (CID 3063738) is phenyl-(1-piperidin-1-ylcyclohexyl)methanol;hydrochloride.
What is the SMILES notation for phenyl-(1-piperidin-1-ylcyclohexyl)methanol;hydrochloride?
The canonical SMILES for phenyl-(1-piperidin-1-ylcyclohexyl)methanol;hydrochloride is Cl.OC(c1ccccc1)C1(N2CCCCC2)CCCCC1.
What is the InChIKey of phenyl-(1-piperidin-1-ylcyclohexyl)methanol;hydrochloride?
The InChIKey is WORBSBBQKPBXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO.ClH/c20-17(16-10-4-1-5-11-16)18(12-6-2-7-13-18)19-14-8-3-9-15-19;/h1,4-5,10-11,17,20H,2-3,6-9,12-15H2;1H.
What are the key properties of phenyl-(1-piperidin-1-ylcyclohexyl)methanol;hydrochloride?
phenyl-(1-piperidin-1-ylcyclohexyl)methanol;hydrochloride has a molecular weight of 309.88 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl-(1-piperidin-1-ylcyclohexyl)methanol;hydrochloride is sourced from PubChem (CID 3063738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).