[(2R,4S)-2-methylpiperidin-4-yl]methanamine

C7H16N2 — CID 129409873

IUPAC[(2R,4S)-2-methylpiperidin-4-yl]methanamine
SMILESC[C@@H]1C[C@@H](CN)CCN1
InChIInChI=1S/C7H16N2/c1-6-4-7(5-8)2-3-9-6/h6-7,9H,2-5,8H2,1H3/t6-,7+/m1/s1
InChIKeyKAYRFWPPZRXSPK-RQJHMYQMSA-N
MW128.22 g/mol
LogP0.33
Rot. Bonds1

About [(2R,4S)-2-methylpiperidin-4-yl]methanamine

[(2R,4S)-2-methylpiperidin-4-yl]methanamine (PubChem CID 129409873) has the molecular formula C7H16N2 and a molecular weight of 128.22 g/mol. Its IUPAC name is [(2R,4S)-2-methylpiperidin-4-yl]methanamine.

Molecular Properties

Compound Name[(2R,4S)-2-methylpiperidin-4-yl]methanamine
PubChem CID129409873
Molecular FormulaC7H16N2
Molecular Weight128.22 g/mol
Exact Mass128.13
IUPAC Name[(2R,4S)-2-methylpiperidin-4-yl]methanamine
SMILESC[C@@H]1C[C@@H](CN)CCN1
InChIInChI=1S/C7H16N2/c1-6-4-7(5-8)2-3-9-6/h6-7,9H,2-5,8H2,1H3/t6-,7+/m1/s1
InChIKeyKAYRFWPPZRXSPK-RQJHMYQMSA-N
XLogP0.33
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-methylpiperidin-4-amine
CID 142519912
2-[(2R)-2-methylpiperidin-4-yl]ethanol
CID 89139578
1-cyclopropyl-N-[(2-methylpiperidin-4-yl)methyl]methanamine
CID 106740929
4-[(3,4-dimethylpyrrolidin-1-yl)methyl]-2-methylpiperidine
CID 106741132
4-(aminomethyl)piperidine-2-carboxamide
CID 19078890
N,2-diethyl-N-[(2-methylpiperidin-4-yl)methyl]butan-1-amine
CID 106740959
N-ethyl-N-[(2-methylpiperidin-4-yl)methyl]cyclopropanamine
CID 106740869
(4R)-2,4-dimethylpiperidine
CID 144551274
1-(2-methylpiperidin-4-yl)-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]methanamine
CID 106741134
2-methyl-4-[(4-methylphenyl)methyl]piperidine
CID 106777755
N-(cyclobutylmethyl)-N-[(2-methylpiperidin-4-yl)methyl]ethanamine
CID 107399332
N,4-dimethyl-N-[(2-methylpiperidin-4-yl)methyl]pentan-2-amine
CID 106740989

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2-methylpiperidin-4-yl]methanamine?
The IUPAC name of [(2R,4S)-2-methylpiperidin-4-yl]methanamine (CID 129409873) is [(2R,4S)-2-methylpiperidin-4-yl]methanamine.
What is the SMILES notation for [(2R,4S)-2-methylpiperidin-4-yl]methanamine?
The canonical SMILES for [(2R,4S)-2-methylpiperidin-4-yl]methanamine is C[C@@H]1C[C@@H](CN)CCN1.
What is the InChIKey of [(2R,4S)-2-methylpiperidin-4-yl]methanamine?
The InChIKey is KAYRFWPPZRXSPK-RQJHMYQMSA-N. The full InChI is InChI=1S/C7H16N2/c1-6-4-7(5-8)2-3-9-6/h6-7,9H,2-5,8H2,1H3/t6-,7+/m1/s1.
What are the key properties of [(2R,4S)-2-methylpiperidin-4-yl]methanamine?
[(2R,4S)-2-methylpiperidin-4-yl]methanamine has a molecular weight of 128.22 g/mol, XLogP of 0.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-2-methylpiperidin-4-yl]methanamine is sourced from PubChem (CID 129409873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).