(3S)-1-tert-butyl-N,N-dimethyl-3-(2-phenylethyl)piperidin-3-amine

C19H32N2 — CID 171771140

IUPAC(3S)-1-tert-butyl-N,N-dimethyl-3-(2-phenylethyl)piperidin-3-amine
SMILESCN(C)[C@@]1(CCc2ccccc2)CCCN(C(C)(C)C)C1
InChIInChI=1S/C19H32N2/c1-18(2,3)21-15-9-13-19(16-21,20(4)5)14-12-17-10-7-6-8-11-17/h6-8,10-11H,9,12-16H2,1-5H3/t19-/m1/s1
InChIKeyTYTRWEFKCWJKCC-LJQANCHMSA-N
MW288.48 g/mol
LogP3.81
Rot. Bonds4

About (3S)-1-tert-butyl-N,N-dimethyl-3-(2-phenylethyl)piperidin-3-amine

(3S)-1-tert-butyl-N,N-dimethyl-3-(2-phenylethyl)piperidin-3-amine (PubChem CID 171771140) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is (3S)-1-tert-butyl-N,N-dimethyl-3-(2-phenylethyl)piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-tert-butyl-N,N-dimethyl-3-(2-phenylethyl)piperidin-3-amine
PubChem CID171771140
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name(3S)-1-tert-butyl-N,N-dimethyl-3-(2-phenylethyl)piperidin-3-amine
SMILESCN(C)[C@@]1(CCc2ccccc2)CCCN(C(C)(C)C)C1
InChIInChI=1S/C19H32N2/c1-18(2,3)21-15-9-13-19(16-21,20(4)5)14-12-17-10-7-6-8-11-17/h6-8,10-11H,9,12-16H2,1-5H3/t19-/m1/s1
InChIKeyTYTRWEFKCWJKCC-LJQANCHMSA-N
XLogP3.81
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-N,N-dimethyl-3-(2-phenylethyl)piperidin-3-amine?
The IUPAC name of (3S)-1-tert-butyl-N,N-dimethyl-3-(2-phenylethyl)piperidin-3-amine (CID 171771140) is (3S)-1-tert-butyl-N,N-dimethyl-3-(2-phenylethyl)piperidin-3-amine.
What is the SMILES notation for (3S)-1-tert-butyl-N,N-dimethyl-3-(2-phenylethyl)piperidin-3-amine?
The canonical SMILES for (3S)-1-tert-butyl-N,N-dimethyl-3-(2-phenylethyl)piperidin-3-amine is CN(C)[C@@]1(CCc2ccccc2)CCCN(C(C)(C)C)C1.
What is the InChIKey of (3S)-1-tert-butyl-N,N-dimethyl-3-(2-phenylethyl)piperidin-3-amine?
The InChIKey is TYTRWEFKCWJKCC-LJQANCHMSA-N. The full InChI is InChI=1S/C19H32N2/c1-18(2,3)21-15-9-13-19(16-21,20(4)5)14-12-17-10-7-6-8-11-17/h6-8,10-11H,9,12-16H2,1-5H3/t19-/m1/s1.
What are the key properties of (3S)-1-tert-butyl-N,N-dimethyl-3-(2-phenylethyl)piperidin-3-amine?
(3S)-1-tert-butyl-N,N-dimethyl-3-(2-phenylethyl)piperidin-3-amine has a molecular weight of 288.48 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tert-butyl-N,N-dimethyl-3-(2-phenylethyl)piperidin-3-amine is sourced from PubChem (CID 171771140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).