[3-(aminomethyl)-1-methylpiperidin-2-yl]methanol

C8H18N2O — CID 145331033

IUPAC[3-(aminomethyl)-1-methylpiperidin-2-yl]methanol
SMILESCN1CCCC(CN)C1CO
InChIInChI=1S/C8H18N2O/c1-10-4-2-3-7(5-9)8(10)6-11/h7-8,11H,2-6,9H2,1H3
InChIKeyQYOOZVVLSPVCDC-UHFFFAOYSA-N
MW158.24 g/mol
LogP-0.35
Rot. Bonds2

About [3-(aminomethyl)-1-methylpiperidin-2-yl]methanol

[3-(aminomethyl)-1-methylpiperidin-2-yl]methanol (PubChem CID 145331033) has the molecular formula C8H18N2O and a molecular weight of 158.24 g/mol. Its IUPAC name is [3-(aminomethyl)-1-methylpiperidin-2-yl]methanol.

Molecular Properties

Compound Name[3-(aminomethyl)-1-methylpiperidin-2-yl]methanol
PubChem CID145331033
Molecular FormulaC8H18N2O
Molecular Weight158.24 g/mol
Exact Mass158.14
IUPAC Name[3-(aminomethyl)-1-methylpiperidin-2-yl]methanol
SMILESCN1CCCC(CN)C1CO
InChIInChI=1S/C8H18N2O/c1-10-4-2-3-7(5-9)8(10)6-11/h7-8,11H,2-6,9H2,1H3
InChIKeyQYOOZVVLSPVCDC-UHFFFAOYSA-N
XLogP-0.35
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.24
LogP ≤ 5-0.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-1-methylpiperidin-2-yl]methanol?
The IUPAC name of [3-(aminomethyl)-1-methylpiperidin-2-yl]methanol (CID 145331033) is [3-(aminomethyl)-1-methylpiperidin-2-yl]methanol.
What is the SMILES notation for [3-(aminomethyl)-1-methylpiperidin-2-yl]methanol?
The canonical SMILES for [3-(aminomethyl)-1-methylpiperidin-2-yl]methanol is CN1CCCC(CN)C1CO.
What is the InChIKey of [3-(aminomethyl)-1-methylpiperidin-2-yl]methanol?
The InChIKey is QYOOZVVLSPVCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O/c1-10-4-2-3-7(5-9)8(10)6-11/h7-8,11H,2-6,9H2,1H3.
What are the key properties of [3-(aminomethyl)-1-methylpiperidin-2-yl]methanol?
[3-(aminomethyl)-1-methylpiperidin-2-yl]methanol has a molecular weight of 158.24 g/mol, XLogP of -0.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-1-methylpiperidin-2-yl]methanol is sourced from PubChem (CID 145331033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).