N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine

C14H22N2 — CID 143489271

IUPACN-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine
SMILESC[C@@H]1NCCC[C@@H]1CNCc1ccccc1
InChIInChI=1S/C14H22N2/c1-12-14(8-5-9-16-12)11-15-10-13-6-3-2-4-7-13/h2-4,6-7,12,14-16H,5,8-11H2,1H3/t12-,14+/m0/s1
InChIKeyGCEBHAQPZREKKR-GXTWGEPZSA-N
MW218.34 g/mol
LogP2.16
Rot. Bonds4

About N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine

N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine (PubChem CID 143489271) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound NameN-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine
PubChem CID143489271
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine
SMILESC[C@@H]1NCCC[C@@H]1CNCc1ccccc1
InChIInChI=1S/C14H22N2/c1-12-14(8-5-9-16-12)11-15-10-13-6-3-2-4-7-13/h2-4,6-7,12,14-16H,5,8-11H2,1H3/t12-,14+/m0/s1
InChIKeyGCEBHAQPZREKKR-GXTWGEPZSA-N
XLogP2.16
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine?
The IUPAC name of N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine (CID 143489271) is N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine?
The canonical SMILES for N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine is C[C@@H]1NCCC[C@@H]1CNCc1ccccc1.
What is the InChIKey of N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine?
The InChIKey is GCEBHAQPZREKKR-GXTWGEPZSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-14(8-5-9-16-12)11-15-10-13-6-3-2-4-7-13/h2-4,6-7,12,14-16H,5,8-11H2,1H3/t12-,14+/m0/s1.
What are the key properties of N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine?
N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-1-[(2S,3R)-2-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 143489271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).