(2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine

C15H23N — CID 59989968

IUPAC(2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine
SMILESCC(c1ccccc1)N1C[C@@H](C)CC[C@@H]1C
InChIInChI=1S/C15H23N/c1-12-9-10-13(2)16(11-12)14(3)15-7-5-4-6-8-15/h4-8,12-14H,9-11H2,1-3H3/t12-,13-,14?/m0/s1
InChIKeyPYQWLSHDKSYPPL-RFHHWMCGSA-N
MW217.36 g/mol
LogP3.87
Rot. Bonds2

About (2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine

(2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine (PubChem CID 59989968) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is (2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine.

Molecular Properties

Compound Name(2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine
PubChem CID59989968
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name(2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine
SMILESCC(c1ccccc1)N1C[C@@H](C)CC[C@@H]1C
InChIInChI=1S/C15H23N/c1-12-9-10-13(2)16(11-12)14(3)15-7-5-4-6-8-15/h4-8,12-14H,9-11H2,1-3H3/t12-,13-,14?/m0/s1
InChIKeyPYQWLSHDKSYPPL-RFHHWMCGSA-N
XLogP3.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 141078428
(2S,5R)-2,5-dimethyl-1-[(1S)-1-phenylethyl]pyrrolidine
CID 10976568
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
CID 145119255
2-phenyl-1-[(1S)-1-phenylethyl]aziridine
CID 71369134
1-[3-methyl-4-(1-phenylethyl)piperazin-1-yl]ethanone
CID 20769426
(2S)-2-methyl-1-[(1S)-1-phenylethyl]piperidin-4-one
CID 13198301
(2S)-2-methyl-1-(1-phenylethyl)piperidin-4-one
CID 69069233
1-[1-(4-iodophenyl)ethyl]-2-methylaziridine
CID 155022245
[5-methyl-4-(1-phenylethyl)morpholin-2-yl]methanamine
CID 81218045
4-methyl-1-[(1S)-1-phenylethyl]piperidin-2-one
CID 53382448
2-methyl-1-(1-phenylethyl)-1,4-diazepane
CID 82242013
(R)-phenyl-[(2R)-1-[(1R)-1-phenylethyl]aziridin-2-yl]methanol
CID 134930781

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine?
The IUPAC name of (2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine (CID 59989968) is (2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine.
What is the SMILES notation for (2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine?
The canonical SMILES for (2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine is CC(c1ccccc1)N1C[C@@H](C)CC[C@@H]1C.
What is the InChIKey of (2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine?
The InChIKey is PYQWLSHDKSYPPL-RFHHWMCGSA-N. The full InChI is InChI=1S/C15H23N/c1-12-9-10-13(2)16(11-12)14(3)15-7-5-4-6-8-15/h4-8,12-14H,9-11H2,1-3H3/t12-,13-,14?/m0/s1.
What are the key properties of (2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine?
(2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine has a molecular weight of 217.36 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-2,5-dimethyl-1-(1-phenylethyl)piperidine is sourced from PubChem (CID 59989968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).