(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol;hydrochloride

C7H14ClNO — CID 44668352

IUPAC(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol;hydrochloride
SMILESCN1CC=C(CO)CC1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-8-4-2-7(6-9)3-5-8;/h2,9H,3-6H2,1H3;1H
InChIKeyRPLQOTHNKDYSQH-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.66
Rot. Bonds1

About (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol;hydrochloride

(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol;hydrochloride (PubChem CID 44668352) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol;hydrochloride
PubChem CID44668352
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol;hydrochloride
SMILESCN1CC=C(CO)CC1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-8-4-2-7(6-9)3-5-8;/h2,9H,3-6H2,1H3;1H
InChIKeyRPLQOTHNKDYSQH-UHFFFAOYSA-N
XLogP0.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol;hydrochloride?
The IUPAC name of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol;hydrochloride (CID 44668352) is (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol;hydrochloride.
What is the SMILES notation for (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol;hydrochloride?
The canonical SMILES for (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol;hydrochloride is CN1CC=C(CO)CC1.Cl.
What is the InChIKey of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol;hydrochloride?
The InChIKey is RPLQOTHNKDYSQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-8-4-2-7(6-9)3-5-8;/h2,9H,3-6H2,1H3;1H.
What are the key properties of (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol;hydrochloride?
(1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methyl-3,6-dihydro-2H-pyridin-4-yl)methanol;hydrochloride is sourced from PubChem (CID 44668352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).