(2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine

C17H27N — CID 70416000

IUPAC(2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine
SMILESCC(Cc1ccccc1)CN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C17H27N/c1-14(12-17-10-5-4-6-11-17)13-18-15(2)8-7-9-16(18)3/h4-6,10-11,14-16H,7-9,12-13H2,1-3H3/t14?,15-,16+
InChIKeyITCAXHVGKQQGSU-MQVJKMGUSA-N
MW245.41 g/mol
LogP4.13
Rot. Bonds4

About (2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine

(2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine (PubChem CID 70416000) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine.

Molecular Properties

Compound Name(2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine
PubChem CID70416000
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine
SMILESCC(Cc1ccccc1)CN1[C@H](C)CCC[C@@H]1C
InChIInChI=1S/C17H27N/c1-14(12-17-10-5-4-6-11-17)13-18-15(2)8-7-9-16(18)3/h4-6,10-11,14-16H,7-9,12-13H2,1-3H3/t14?,15-,16+
InChIKeyITCAXHVGKQQGSU-MQVJKMGUSA-N
XLogP4.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-dimethylpiperidin-1-yl)-3-phenylmethoxypropan-2-ol chloride
CID 21236643
(2S,3S)-2-methyl-1-(2-methyl-3-phenylpropyl)piperidine-3-carboxylic acid
CID 122124952
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-phenylpropanenitrile
CID 104967466
dimethyl-(2-methyl-3-phenylpropyl)alumane
CID 19598535
[6-methyl-1-(1-phenylbutan-2-yl)piperidin-2-yl]methanamine
CID 79007703
4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-3-methylbutan-1-amine
CID 104967716
2-methyl-3-phenylpropan-1-amine
CID 12672558
N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine
CID 104968404
(2S)-1-(2,6-dimethylpiperidin-1-yl)propan-2-ol
CID 103934908
ethane;2-methyl-3-phenylpropan-1-amine
CID 90796605
1-[2-(4-benzylphenoxy)ethyl]-2,6-dimethylpiperidine
CID 10711066
3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-N-ethyl-2-methylpropan-1-amine
CID 104967675

Frequently Asked Questions

What is the IUPAC name of (2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine?
The IUPAC name of (2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine (CID 70416000) is (2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine.
What is the SMILES notation for (2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine?
The canonical SMILES for (2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine is CC(Cc1ccccc1)CN1[C@H](C)CCC[C@@H]1C.
What is the InChIKey of (2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine?
The InChIKey is ITCAXHVGKQQGSU-MQVJKMGUSA-N. The full InChI is InChI=1S/C17H27N/c1-14(12-17-10-5-4-6-11-17)13-18-15(2)8-7-9-16(18)3/h4-6,10-11,14-16H,7-9,12-13H2,1-3H3/t14?,15-,16+.
What are the key properties of (2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine?
(2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine has a molecular weight of 245.41 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-dimethyl-1-(2-methyl-3-phenylpropyl)piperidine is sourced from PubChem (CID 70416000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).