[2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol

C13H26N2O — CID 115103547

IUPAC[2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol
SMILESCN1CCC(CC2(CO)CCCCN2)CC1
InChIInChI=1S/C13H26N2O/c1-15-8-4-12(5-9-15)10-13(11-16)6-2-3-7-14-13/h12,14,16H,2-11H2,1H3
InChIKeyQJXWXTVYMOXFQY-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.22
Rot. Bonds3

About [2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol

[2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol (PubChem CID 115103547) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is [2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol
PubChem CID115103547
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name[2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol
SMILESCN1CCC(CC2(CO)CCCCN2)CC1
InChIInChI=1S/C13H26N2O/c1-15-8-4-12(5-9-15)10-13(11-16)6-2-3-7-14-13/h12,14,16H,2-11H2,1H3
InChIKeyQJXWXTVYMOXFQY-UHFFFAOYSA-N
XLogP1.22
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[2-[(1-methylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 115103176
[2-[(1-propan-2-ylpiperidin-4-yl)methyl]pyrrolidin-2-yl]methanol
CID 115103198
[2-(cyclopentylmethyl)pyrrolidin-2-yl]methanol
CID 83080759
[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]pyrrolidin-2-yl]methanol
CID 115103178
[2-[(1,1-dioxothian-3-yl)methyl]piperidin-2-yl]methanol
CID 115103670
[2-(1-methylpiperidin-4-yl)piperidin-2-yl]methanol
CID 115103505
[2-(pyrrolidin-2-ylmethyl)piperidin-2-yl]methanol
CID 115103630
4-[2-(2-ethylpyrrolidin-2-yl)ethyl]-1-methylpiperidine
CID 117271420
[2-(piperidin-3-ylmethyl)pyrrolidin-2-yl]methanol
CID 115103316
2-methyl-2-[2-(1-methylpyrrolidin-3-yl)ethyl]piperidine
CID 117271582
1-[(1-methylpiperidin-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 116928821
N-[(2-ethylpyrrolidin-2-yl)methyl]-N-methyl-1-(1-methylpiperidin-4-yl)methanamine
CID 83074027

Frequently Asked Questions

What is the IUPAC name of [2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol?
The IUPAC name of [2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol (CID 115103547) is [2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol.
What is the SMILES notation for [2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol?
The canonical SMILES for [2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol is CN1CCC(CC2(CO)CCCCN2)CC1.
What is the InChIKey of [2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol?
The InChIKey is QJXWXTVYMOXFQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-15-8-4-12(5-9-15)10-13(11-16)6-2-3-7-14-13/h12,14,16H,2-11H2,1H3.
What are the key properties of [2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol?
[2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol has a molecular weight of 226.36 g/mol, XLogP of 1.22, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-methylpiperidin-4-yl)methyl]piperidin-2-yl]methanol is sourced from PubChem (CID 115103547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).