(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine

C14H21N — CID 145119255

IUPAC(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
SMILESC[C@@H]1CCCN([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C14H21N/c1-12-7-6-10-15(11-12)13(2)14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyCBSRRCASLZIWJD-OLZOCXBDSA-N
MW203.33 g/mol
LogP3.48
Rot. Bonds2

About (3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine

(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine (PubChem CID 145119255) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is (3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine.

Molecular Properties

Compound Name(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
PubChem CID145119255
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC Name(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine
SMILESC[C@@H]1CCCN([C@@H](C)c2ccccc2)C1
InChIInChI=1S/C14H21N/c1-12-7-6-10-15(11-12)13(2)14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3/t12-,13+/m1/s1
InChIKeyCBSRRCASLZIWJD-OLZOCXBDSA-N
XLogP3.48
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(3-methylpiperidin-1-yl)ethyl]aniline
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(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine
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N-methyl-1-[1-(1-phenylethyl)piperidin-3-yl]methanamine;hydrochloride
CID 119914413
2-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)propanamide
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1-[(1S)-1-phenylethyl]pyrrolidin-3-ol
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1-[(1S)-1-phenylethyl]-4-[(1R)-1-phenylethyl]piperazine
CID 3246046
2-methyl-1-[(1S)-1-phenylethyl]pyrrolidine
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3-methyl-1-(1-phenylethyl)piperazine;hydrochloride
CID 119924296

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine?
The IUPAC name of (3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine (CID 145119255) is (3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine.
What is the SMILES notation for (3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine?
The canonical SMILES for (3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine is C[C@@H]1CCCN([C@@H](C)c2ccccc2)C1.
What is the InChIKey of (3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine?
The InChIKey is CBSRRCASLZIWJD-OLZOCXBDSA-N. The full InChI is InChI=1S/C14H21N/c1-12-7-6-10-15(11-12)13(2)14-8-4-3-5-9-14/h3-5,8-9,12-13H,6-7,10-11H2,1-2H3/t12-,13+/m1/s1.
What are the key properties of (3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine?
(3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine has a molecular weight of 203.33 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-1-[(1S)-1-phenylethyl]piperidine is sourced from PubChem (CID 145119255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).