1-cyclohexyl-4-piperidin-1-ylbutan-1-ol;hydrochloride

C15H30ClNO — CID 139776333

IUPAC1-cyclohexyl-4-piperidin-1-ylbutan-1-ol;hydrochloride
SMILESCl.OC(CCCN1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H29NO.ClH/c17-15(14-8-3-1-4-9-14)10-7-13-16-11-5-2-6-12-16;/h14-15,17H,1-13H2;1H
InChIKeyPRZYWWIKFJQYMW-UHFFFAOYSA-N
MW275.86 g/mol
LogP3.62
Rot. Bonds5

About 1-cyclohexyl-4-piperidin-1-ylbutan-1-ol;hydrochloride

1-cyclohexyl-4-piperidin-1-ylbutan-1-ol;hydrochloride (PubChem CID 139776333) has the molecular formula C15H30ClNO and a molecular weight of 275.86 g/mol. Its IUPAC name is 1-cyclohexyl-4-piperidin-1-ylbutan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-cyclohexyl-4-piperidin-1-ylbutan-1-ol;hydrochloride
PubChem CID139776333
Molecular FormulaC15H30ClNO
Molecular Weight275.86 g/mol
Exact Mass275.20
IUPAC Name1-cyclohexyl-4-piperidin-1-ylbutan-1-ol;hydrochloride
SMILESCl.OC(CCCN1CCCCC1)C1CCCCC1
InChIInChI=1S/C15H29NO.ClH/c17-15(14-8-3-1-4-9-14)10-7-13-16-11-5-2-6-12-16;/h14-15,17H,1-13H2;1H
InChIKeyPRZYWWIKFJQYMW-UHFFFAOYSA-N
XLogP3.62
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.86
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-4-piperidin-1-ylbutan-1-ol;hydrochloride?
The IUPAC name of 1-cyclohexyl-4-piperidin-1-ylbutan-1-ol;hydrochloride (CID 139776333) is 1-cyclohexyl-4-piperidin-1-ylbutan-1-ol;hydrochloride.
What is the SMILES notation for 1-cyclohexyl-4-piperidin-1-ylbutan-1-ol;hydrochloride?
The canonical SMILES for 1-cyclohexyl-4-piperidin-1-ylbutan-1-ol;hydrochloride is Cl.OC(CCCN1CCCCC1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-4-piperidin-1-ylbutan-1-ol;hydrochloride?
The InChIKey is PRZYWWIKFJQYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO.ClH/c17-15(14-8-3-1-4-9-14)10-7-13-16-11-5-2-6-12-16;/h14-15,17H,1-13H2;1H.
What are the key properties of 1-cyclohexyl-4-piperidin-1-ylbutan-1-ol;hydrochloride?
1-cyclohexyl-4-piperidin-1-ylbutan-1-ol;hydrochloride has a molecular weight of 275.86 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-4-piperidin-1-ylbutan-1-ol;hydrochloride is sourced from PubChem (CID 139776333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).