[1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol

C12H26N2O — CID 107443355

IUPAC[1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol
SMILESCC(C)C(CN)CN1CCC(CO)CC1
InChIInChI=1S/C12H26N2O/c1-10(2)12(7-13)8-14-5-3-11(9-15)4-6-14/h10-12,15H,3-9,13H2,1-2H3
InChIKeyBVIXVWMTZLCYLI-UHFFFAOYSA-N
MW214.35 g/mol
LogP0.92
Rot. Bonds5

About [1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol

[1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol (PubChem CID 107443355) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is [1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol
PubChem CID107443355
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name[1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol
SMILESCC(C)C(CN)CN1CCC(CO)CC1
InChIInChI=1S/C12H26N2O/c1-10(2)12(7-13)8-14-5-3-11(9-15)4-6-14/h10-12,15H,3-9,13H2,1-2H3
InChIKeyBVIXVWMTZLCYLI-UHFFFAOYSA-N
XLogP0.92
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol?
The IUPAC name of [1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol (CID 107443355) is [1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol.
What is the SMILES notation for [1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol?
The canonical SMILES for [1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol is CC(C)C(CN)CN1CCC(CO)CC1.
What is the InChIKey of [1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol?
The InChIKey is BVIXVWMTZLCYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)12(7-13)8-14-5-3-11(9-15)4-6-14/h10-12,15H,3-9,13H2,1-2H3.
What are the key properties of [1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol?
[1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol has a molecular weight of 214.35 g/mol, XLogP of 0.92, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-(aminomethyl)-3-methylbutyl]piperidin-4-yl]methanol is sourced from PubChem (CID 107443355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).