(3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine

C13H20N2 — CID 15541148

IUPAC(3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine
SMILESC[C@@H]1CN(C)CC[C@@H]1Nc1ccccc1
InChIInChI=1S/C13H20N2/c1-11-10-15(2)9-8-13(11)14-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyGDWQHRLREBUYNF-YPMHNXCESA-N
MW204.32 g/mol
LogP2.44
Rot. Bonds2

About (3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine

(3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine (PubChem CID 15541148) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine
PubChem CID15541148
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine
SMILESC[C@@H]1CN(C)CC[C@@H]1Nc1ccccc1
InChIInChI=1S/C13H20N2/c1-11-10-15(2)9-8-13(11)14-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3/t11-,13+/m1/s1
InChIKeyGDWQHRLREBUYNF-YPMHNXCESA-N
XLogP2.44
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4R)-1,3-dimethyl-N-[4-(trifluoromethoxy)phenyl]piperidin-4-amine
CID 170208323
(3R,4R)-1,3-dimethyl-N-[(1S)-1-phenylethyl]piperidin-4-amine
CID 11172331
3-N-(1,3-dimethylpiperidin-4-yl)-5-methylbenzene-1,3-diamine
CID 114502993
methyl (3S,4R)-4-anilino-3-methylpiperidine-1-carboxylate
CID 125483036
1,3-dimethyl-N-[2-(trifluoromethyl)phenyl]piperidin-4-amine
CID 114504908
N-(1,3-dimethylpiperidin-4-yl)-2-hydrazinylpyridin-4-amine
CID 114506746
1,3-dimethyl-N-(1-phenylpiperidin-4-yl)piperidin-4-amine
CID 103778408
1,3-dimethyl-N-[(E)-3-phenylprop-2-enyl]piperidin-4-amine
CID 115615391
3-[(1,3-dimethylpiperidin-4-yl)amino]pyridine-2-carboxylic acid
CID 114506019
benzyl (3R,4R)-4-anilino-3-methylpiperidine-1-carboxylate
CID 14987150
2-bromo-4-[(1,3-dimethylpiperidin-4-yl)amino]benzenecarbothioamide
CID 107278148
2-N-(1,3-dimethylpiperidin-4-yl)pyridine-2,5-diamine
CID 114502996

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine?
The IUPAC name of (3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine (CID 15541148) is (3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine.
What is the SMILES notation for (3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine?
The canonical SMILES for (3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine is C[C@@H]1CN(C)CC[C@@H]1Nc1ccccc1.
What is the InChIKey of (3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine?
The InChIKey is GDWQHRLREBUYNF-YPMHNXCESA-N. The full InChI is InChI=1S/C13H20N2/c1-11-10-15(2)9-8-13(11)14-12-6-4-3-5-7-12/h3-7,11,13-14H,8-10H2,1-2H3/t11-,13+/m1/s1.
What are the key properties of (3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine?
(3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine has a molecular weight of 204.32 g/mol, XLogP of 2.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1,3-dimethyl-N-phenylpiperidin-4-amine is sourced from PubChem (CID 15541148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).