2-(1-methylpiperidin-2-yl)propan-2-ol;hydrochloride

C9H20ClNO — CID 138040447

IUPAC2-(1-methylpiperidin-2-yl)propan-2-ol;hydrochloride
SMILESCN1CCCCC1C(C)(C)O.Cl
InChIInChI=1S/C9H19NO.ClH/c1-9(2,11)8-6-4-5-7-10(8)3;/h8,11H,4-7H2,1-3H3;1H
InChIKeySXPAFIIAYJXCOK-UHFFFAOYSA-N
MW193.72 g/mol
LogP1.66
Rot. Bonds1

About 2-(1-methylpiperidin-2-yl)propan-2-ol;hydrochloride

2-(1-methylpiperidin-2-yl)propan-2-ol;hydrochloride (PubChem CID 138040447) has the molecular formula C9H20ClNO and a molecular weight of 193.72 g/mol. Its IUPAC name is 2-(1-methylpiperidin-2-yl)propan-2-ol;hydrochloride.

Molecular Properties

Compound Name2-(1-methylpiperidin-2-yl)propan-2-ol;hydrochloride
PubChem CID138040447
Molecular FormulaC9H20ClNO
Molecular Weight193.72 g/mol
Exact Mass193.12
IUPAC Name2-(1-methylpiperidin-2-yl)propan-2-ol;hydrochloride
SMILESCN1CCCCC1C(C)(C)O.Cl
InChIInChI=1S/C9H19NO.ClH/c1-9(2,11)8-6-4-5-7-10(8)3;/h8,11H,4-7H2,1-3H3;1H
InChIKeySXPAFIIAYJXCOK-UHFFFAOYSA-N
XLogP1.66
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.72
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-Piperidinepentanol, alpha,alpha,epsilon-trimethyl-, hydrochloride
CID 216091
2-(1-Methylpiperidin-2-yl)propan-2-ol
CID 407808
2-(Piperidin-2-yl)propan-2-ol hydrochloride
CID 132372496
2-[(2R)-1-methylpiperidin-2-yl]propan-2-ol
CID 92161206
2-(Piperidin-2-yl)propan-2-ol
CID 407662
2-[(2S)-1-methylpiperidin-2-yl]propan-2-ol
CID 10057764
1-[(2S)-1-methylpiperidin-2-yl]cyclohexan-1-ol
CID 11820042
1-(1-Methylpiperidin-2-yl)cyclohexan-1-ol
CID 15758094
2-[(2S,4R)-4-tert-butyl-1-methylpiperidin-2-yl]propan-2-ol
CID 102008573
1-[(2R)-1-methylpiperidin-2-yl]cyclohexan-1-ol
CID 134905553
2-Methyl-5-(1-methylpiperidin-2-yl)pentan-2-ol
CID 135080593
2-Methyl-6-piperidin-1-ylheptan-2-ol
CID 216092

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-2-yl)propan-2-ol;hydrochloride?
The IUPAC name of 2-(1-methylpiperidin-2-yl)propan-2-ol;hydrochloride (CID 138040447) is 2-(1-methylpiperidin-2-yl)propan-2-ol;hydrochloride.
What is the SMILES notation for 2-(1-methylpiperidin-2-yl)propan-2-ol;hydrochloride?
The canonical SMILES for 2-(1-methylpiperidin-2-yl)propan-2-ol;hydrochloride is CN1CCCCC1C(C)(C)O.Cl.
What is the InChIKey of 2-(1-methylpiperidin-2-yl)propan-2-ol;hydrochloride?
The InChIKey is SXPAFIIAYJXCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO.ClH/c1-9(2,11)8-6-4-5-7-10(8)3;/h8,11H,4-7H2,1-3H3;1H.
What are the key properties of 2-(1-methylpiperidin-2-yl)propan-2-ol;hydrochloride?
2-(1-methylpiperidin-2-yl)propan-2-ol;hydrochloride has a molecular weight of 193.72 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-2-yl)propan-2-ol;hydrochloride is sourced from PubChem (CID 138040447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).