(3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine

C14H22N2 — CID 99723964

IUPAC(3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine
SMILESC[C@@H]1[C@H](C)CN(Cc2ccccc2)C[C@H]1N
InChIInChI=1S/C14H22N2/c1-11-8-16(10-14(15)12(11)2)9-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,15H2,1-2H3/t11-,12-,14-/m1/s1
InChIKeyNMWRIHNNQCIKCJ-YRGRVCCFSA-N
MW218.34 g/mol
LogP2.10
Rot. Bonds2

About (3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine

(3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine (PubChem CID 99723964) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is (3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name(3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine
PubChem CID99723964
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC Name(3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine
SMILESC[C@@H]1[C@H](C)CN(Cc2ccccc2)C[C@H]1N
InChIInChI=1S/C14H22N2/c1-11-8-16(10-14(15)12(11)2)9-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,15H2,1-2H3/t11-,12-,14-/m1/s1
InChIKeyNMWRIHNNQCIKCJ-YRGRVCCFSA-N
XLogP2.10
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,5R)-1-benzyl-3,5-dimethylpiperidin-4-amine
CID 92979356
(3S,5S)-1-benzyl-4-chloro-3,5-dimethylpiperidine
CID 97176894
(3S,4S)-1-benzyl-3-methylpiperidin-4-amine
CID 34178997
(3R,4R)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977426
(3R,4S)-1-benzyl-3-ethyl-4-methylpyrrolidine
CID 58977345
(3R,5R)-1-benzyl-4-bromo-3,5-dimethylpiperidine
CID 97176892
1-benzylpyrrolidine-3,4-diamine;cyclobutane-1,2-diamine;cyclopropane-1,2-diamine
CID 158227606
(1-benzyl-4-methylpyrrolidin-3-yl)methanol
CID 18713552
(3aR,4R,7S,7aS)-2-benzyl-7-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-4-amine
CID 82385393
1-benzyl-3,5-dimethyl-4-phenylpiperidine
CID 141122584
1-benzyl-3-bromo-4-methylpyrrolidine
CID 127008953
(2R,3S,4S,5S)-1-benzyl-2,4,5-trimethylpiperidin-3-amine
CID 124709573

Frequently Asked Questions

What is the IUPAC name of (3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine?
The IUPAC name of (3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine (CID 99723964) is (3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine.
What is the SMILES notation for (3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine?
The canonical SMILES for (3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine is C[C@@H]1[C@H](C)CN(Cc2ccccc2)C[C@H]1N.
What is the InChIKey of (3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine?
The InChIKey is NMWRIHNNQCIKCJ-YRGRVCCFSA-N. The full InChI is InChI=1S/C14H22N2/c1-11-8-16(10-14(15)12(11)2)9-13-6-4-3-5-7-13/h3-7,11-12,14H,8-10,15H2,1-2H3/t11-,12-,14-/m1/s1.
What are the key properties of (3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine?
(3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine has a molecular weight of 218.34 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R,5S)-1-benzyl-4,5-dimethylpiperidin-3-amine is sourced from PubChem (CID 99723964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).