1-(3,3,5,5-tetramethyl-1-prop-2-ynylcyclohexyl)piperidine;hydrochloride

C18H32ClN — CID 22630128

IUPAC1-(3,3,5,5-tetramethyl-1-prop-2-ynylcyclohexyl)piperidine;hydrochloride
SMILESC#CCC1(N2CCCCC2)CC(C)(C)CC(C)(C)C1.Cl
InChIInChI=1S/C18H31N.ClH/c1-6-10-18(19-11-8-7-9-12-19)14-16(2,3)13-17(4,5)15-18;/h1H,7-15H2,2-5H3;1H
InChIKeyGMFWICUPWBDSLV-UHFFFAOYSA-N
MW297.91 g/mol
LogP4.89
Rot. Bonds2

About 1-(3,3,5,5-tetramethyl-1-prop-2-ynylcyclohexyl)piperidine;hydrochloride

1-(3,3,5,5-tetramethyl-1-prop-2-ynylcyclohexyl)piperidine;hydrochloride (PubChem CID 22630128) has the molecular formula C18H32ClN and a molecular weight of 297.91 g/mol. Its IUPAC name is 1-(3,3,5,5-tetramethyl-1-prop-2-ynylcyclohexyl)piperidine;hydrochloride.

Molecular Properties

Compound Name1-(3,3,5,5-tetramethyl-1-prop-2-ynylcyclohexyl)piperidine;hydrochloride
PubChem CID22630128
Molecular FormulaC18H32ClN
Molecular Weight297.91 g/mol
Exact Mass297.22
IUPAC Name1-(3,3,5,5-tetramethyl-1-prop-2-ynylcyclohexyl)piperidine;hydrochloride
SMILESC#CCC1(N2CCCCC2)CC(C)(C)CC(C)(C)C1.Cl
InChIInChI=1S/C18H31N.ClH/c1-6-10-18(19-11-8-7-9-12-19)14-16(2,3)13-17(4,5)15-18;/h1H,7-15H2,2-5H3;1H
InChIKeyGMFWICUPWBDSLV-UHFFFAOYSA-N
XLogP4.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.91
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3,5,5-tetramethyl-1-prop-2-ynylcyclohexyl)piperidine;hydrochloride?
The IUPAC name of 1-(3,3,5,5-tetramethyl-1-prop-2-ynylcyclohexyl)piperidine;hydrochloride (CID 22630128) is 1-(3,3,5,5-tetramethyl-1-prop-2-ynylcyclohexyl)piperidine;hydrochloride.
What is the SMILES notation for 1-(3,3,5,5-tetramethyl-1-prop-2-ynylcyclohexyl)piperidine;hydrochloride?
The canonical SMILES for 1-(3,3,5,5-tetramethyl-1-prop-2-ynylcyclohexyl)piperidine;hydrochloride is C#CCC1(N2CCCCC2)CC(C)(C)CC(C)(C)C1.Cl.
What is the InChIKey of 1-(3,3,5,5-tetramethyl-1-prop-2-ynylcyclohexyl)piperidine;hydrochloride?
The InChIKey is GMFWICUPWBDSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N.ClH/c1-6-10-18(19-11-8-7-9-12-19)14-16(2,3)13-17(4,5)15-18;/h1H,7-15H2,2-5H3;1H.
What are the key properties of 1-(3,3,5,5-tetramethyl-1-prop-2-ynylcyclohexyl)piperidine;hydrochloride?
1-(3,3,5,5-tetramethyl-1-prop-2-ynylcyclohexyl)piperidine;hydrochloride has a molecular weight of 297.91 g/mol, XLogP of 4.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3,5,5-tetramethyl-1-prop-2-ynylcyclohexyl)piperidine;hydrochloride is sourced from PubChem (CID 22630128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).