(4-methylpiperidin-4-yl)methanol;hydrochloride

C7H16ClNO — CID 66653509

IUPAC(4-methylpiperidin-4-yl)methanol;hydrochloride
SMILESCC1(CO)CCNCC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-7(6-9)2-4-8-5-3-7;/h8-9H,2-6H2,1H3;1H
InChIKeyJCMZRDULDUYEAQ-UHFFFAOYSA-N
MW165.66 g/mol
LogP0.79
Rot. Bonds1

About (4-methylpiperidin-4-yl)methanol;hydrochloride

(4-methylpiperidin-4-yl)methanol;hydrochloride (PubChem CID 66653509) has the molecular formula C7H16ClNO and a molecular weight of 165.66 g/mol. Its IUPAC name is (4-methylpiperidin-4-yl)methanol;hydrochloride.

Molecular Properties

Compound Name(4-methylpiperidin-4-yl)methanol;hydrochloride
PubChem CID66653509
Molecular FormulaC7H16ClNO
Molecular Weight165.66 g/mol
Exact Mass165.09
IUPAC Name(4-methylpiperidin-4-yl)methanol;hydrochloride
SMILESCC1(CO)CCNCC1.Cl
InChIInChI=1S/C7H15NO.ClH/c1-7(6-9)2-4-8-5-3-7;/h8-9H,2-6H2,1H3;1H
InChIKeyJCMZRDULDUYEAQ-UHFFFAOYSA-N
XLogP0.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.66
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperidin-4-yl)methanol;hydrochloride?
The IUPAC name of (4-methylpiperidin-4-yl)methanol;hydrochloride (CID 66653509) is (4-methylpiperidin-4-yl)methanol;hydrochloride.
What is the SMILES notation for (4-methylpiperidin-4-yl)methanol;hydrochloride?
The canonical SMILES for (4-methylpiperidin-4-yl)methanol;hydrochloride is CC1(CO)CCNCC1.Cl.
What is the InChIKey of (4-methylpiperidin-4-yl)methanol;hydrochloride?
The InChIKey is JCMZRDULDUYEAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO.ClH/c1-7(6-9)2-4-8-5-3-7;/h8-9H,2-6H2,1H3;1H.
What are the key properties of (4-methylpiperidin-4-yl)methanol;hydrochloride?
(4-methylpiperidin-4-yl)methanol;hydrochloride has a molecular weight of 165.66 g/mol, XLogP of 0.79, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperidin-4-yl)methanol;hydrochloride is sourced from PubChem (CID 66653509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).