1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol chloride

C13H21ClNO- — CID 53351769

IUPAC1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol chloride
SMILESOC1(C#CCN2CCCC2)CCCCC1.[Cl-]
InChIInChI=1S/C13H21NO.ClH/c15-13(7-2-1-3-8-13)9-6-12-14-10-4-5-11-14;/h15H,1-5,7-8,10-12H2;1H/p-1
InChIKeyWSVJUNQKTOMCPI-UHFFFAOYSA-M
MW242.77 g/mol
LogP-1.22
Rot. Bonds1

About 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol chloride

1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol chloride (PubChem CID 53351769) has the molecular formula C13H21ClNO- and a molecular weight of 242.77 g/mol. Its IUPAC name is 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol chloride.

Molecular Properties

Compound Name1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol chloride
PubChem CID53351769
Molecular FormulaC13H21ClNO-
Molecular Weight242.77 g/mol
Exact Mass242.13
IUPAC Name1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol chloride
SMILESOC1(C#CCN2CCCC2)CCCCC1.[Cl-]
InChIInChI=1S/C13H21NO.ClH/c15-13(7-2-1-3-8-13)9-6-12-14-10-4-5-11-14;/h15H,1-5,7-8,10-12H2;1H/p-1
InChIKeyWSVJUNQKTOMCPI-UHFFFAOYSA-M
XLogP-1.22
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.77
LogP ≤ 5-1.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Pyrrolidin-1-yl-prop-1-ynyl)-cyclohexanol
CID 24747070
Cyclohexanol, 1-[3-(1-pyrrolidinyl)-1-propynyl]-
CID 780741
1-[3-(Diethylamino)prop-1-ynyl]cyclohexan-1-ol
CID 792893
Cyclohexanol, 1-(5-(diethylamino)-1-pentynyl)-, hydrochloride
CID 3041022
1-(1-Pyrrolidinylmethyl)cyclohexanol
CID 14044367
1-(3-(Azepan-1-yl)prop-1-yn-1-yl)cyclohexanol hydrochloride
CID 2827419
1-(2-Pyrrolidin-1-ylethyl)cyclohexan-1-ol
CID 14044369
Triethyl-[5-(1-hydroxycyclohexyl)pent-4-ynyl]azanium
CID 3041021
1-[5-(Diethylamino)pent-1-ynyl]cyclohexan-1-ol
CID 3041023
1-(3-(Dibutylamino)prop-1-yn-1-yl)cyclohexanol
CID 1901621
1-(3-Pyrrolidin-1-ylpropyl)cyclohexan-1-ol
CID 14044372
1-(3-Pyrrolidin-1-ium-1-ylprop-1-ynyl)cyclohexan-1-ol
CID 6942564

Frequently Asked Questions

What is the IUPAC name of 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol chloride?
The IUPAC name of 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol chloride (CID 53351769) is 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol chloride.
What is the SMILES notation for 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol chloride?
The canonical SMILES for 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol chloride is OC1(C#CCN2CCCC2)CCCCC1.[Cl-].
What is the InChIKey of 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol chloride?
The InChIKey is WSVJUNQKTOMCPI-UHFFFAOYSA-M. The full InChI is InChI=1S/C13H21NO.ClH/c15-13(7-2-1-3-8-13)9-6-12-14-10-4-5-11-14;/h15H,1-5,7-8,10-12H2;1H/p-1.
What are the key properties of 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol chloride?
1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol chloride has a molecular weight of 242.77 g/mol, XLogP of -1.22, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-pyrrolidin-1-ylprop-1-ynyl)cyclohexan-1-ol chloride is sourced from PubChem (CID 53351769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).