1-(5-piperidin-1-ylpent-1-ynyl)cyclohexan-1-ol;hydrochloride

C16H28ClNO — CID 3041024

IUPAC1-(5-piperidin-1-ylpent-1-ynyl)cyclohexan-1-ol;hydrochloride
SMILESCl.OC1(C#CCCCN2CCCCC2)CCCCC1
InChIInChI=1S/C16H27NO.ClH/c18-16(10-4-1-5-11-16)12-6-2-7-13-17-14-8-3-9-15-17;/h18H,1-5,7-11,13-15H2;1H
InChIKeyHUUBIPUTYXVIOA-UHFFFAOYSA-N
MW285.86 g/mol
LogP3.37
Rot. Bonds3

About 1-(5-piperidin-1-ylpent-1-ynyl)cyclohexan-1-ol;hydrochloride

1-(5-piperidin-1-ylpent-1-ynyl)cyclohexan-1-ol;hydrochloride (PubChem CID 3041024) has the molecular formula C16H28ClNO and a molecular weight of 285.86 g/mol. Its IUPAC name is 1-(5-piperidin-1-ylpent-1-ynyl)cyclohexan-1-ol;hydrochloride.

Molecular Properties

Compound Name1-(5-piperidin-1-ylpent-1-ynyl)cyclohexan-1-ol;hydrochloride
PubChem CID3041024
Molecular FormulaC16H28ClNO
Molecular Weight285.86 g/mol
Exact Mass285.19
IUPAC Name1-(5-piperidin-1-ylpent-1-ynyl)cyclohexan-1-ol;hydrochloride
SMILESCl.OC1(C#CCCCN2CCCCC2)CCCCC1
InChIInChI=1S/C16H27NO.ClH/c18-16(10-4-1-5-11-16)12-6-2-7-13-17-14-8-3-9-15-17;/h18H,1-5,7-11,13-15H2;1H
InChIKeyHUUBIPUTYXVIOA-UHFFFAOYSA-N
XLogP3.37
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.86
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-piperidin-1-ylpent-1-ynyl)cyclohexan-1-ol;hydrochloride?
The IUPAC name of 1-(5-piperidin-1-ylpent-1-ynyl)cyclohexan-1-ol;hydrochloride (CID 3041024) is 1-(5-piperidin-1-ylpent-1-ynyl)cyclohexan-1-ol;hydrochloride.
What is the SMILES notation for 1-(5-piperidin-1-ylpent-1-ynyl)cyclohexan-1-ol;hydrochloride?
The canonical SMILES for 1-(5-piperidin-1-ylpent-1-ynyl)cyclohexan-1-ol;hydrochloride is Cl.OC1(C#CCCCN2CCCCC2)CCCCC1.
What is the InChIKey of 1-(5-piperidin-1-ylpent-1-ynyl)cyclohexan-1-ol;hydrochloride?
The InChIKey is HUUBIPUTYXVIOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO.ClH/c18-16(10-4-1-5-11-16)12-6-2-7-13-17-14-8-3-9-15-17;/h18H,1-5,7-11,13-15H2;1H.
What are the key properties of 1-(5-piperidin-1-ylpent-1-ynyl)cyclohexan-1-ol;hydrochloride?
1-(5-piperidin-1-ylpent-1-ynyl)cyclohexan-1-ol;hydrochloride has a molecular weight of 285.86 g/mol, XLogP of 3.37, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-piperidin-1-ylpent-1-ynyl)cyclohexan-1-ol;hydrochloride is sourced from PubChem (CID 3041024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).