(3R,4R)-1-ethyl-4-(4-phenylphenyl)piperidin-3-amine

C19H24N2 — CID 68549689

IUPAC(3R,4R)-1-ethyl-4-(4-phenylphenyl)piperidin-3-amine
SMILESCCN1CC[C@H](c2ccc(-c3ccccc3)cc2)[C@@H](N)C1
InChIInChI=1S/C19H24N2/c1-2-21-13-12-18(19(20)14-21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18-19H,2,12-14,20H2,1H3/t18-,19+/m1/s1
InChIKeyDNBMYVVLEVLSQB-MOPGFXCFSA-N
MW280.42 g/mol
LogP3.49
Rot. Bonds3

About (3R,4R)-1-ethyl-4-(4-phenylphenyl)piperidin-3-amine

(3R,4R)-1-ethyl-4-(4-phenylphenyl)piperidin-3-amine (PubChem CID 68549689) has the molecular formula C19H24N2 and a molecular weight of 280.42 g/mol. Its IUPAC name is (3R,4R)-1-ethyl-4-(4-phenylphenyl)piperidin-3-amine.

Molecular Properties

Compound Name(3R,4R)-1-ethyl-4-(4-phenylphenyl)piperidin-3-amine
PubChem CID68549689
Molecular FormulaC19H24N2
Molecular Weight280.42 g/mol
Exact Mass280.19
IUPAC Name(3R,4R)-1-ethyl-4-(4-phenylphenyl)piperidin-3-amine
SMILESCCN1CC[C@H](c2ccc(-c3ccccc3)cc2)[C@@H](N)C1
InChIInChI=1S/C19H24N2/c1-2-21-13-12-18(19(20)14-21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18-19H,2,12-14,20H2,1H3/t18-,19+/m1/s1
InChIKeyDNBMYVVLEVLSQB-MOPGFXCFSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-ethyl-4-(4-phenylphenyl)piperidin-3-amine?
The IUPAC name of (3R,4R)-1-ethyl-4-(4-phenylphenyl)piperidin-3-amine (CID 68549689) is (3R,4R)-1-ethyl-4-(4-phenylphenyl)piperidin-3-amine.
What is the SMILES notation for (3R,4R)-1-ethyl-4-(4-phenylphenyl)piperidin-3-amine?
The canonical SMILES for (3R,4R)-1-ethyl-4-(4-phenylphenyl)piperidin-3-amine is CCN1CC[C@H](c2ccc(-c3ccccc3)cc2)[C@@H](N)C1.
What is the InChIKey of (3R,4R)-1-ethyl-4-(4-phenylphenyl)piperidin-3-amine?
The InChIKey is DNBMYVVLEVLSQB-MOPGFXCFSA-N. The full InChI is InChI=1S/C19H24N2/c1-2-21-13-12-18(19(20)14-21)17-10-8-16(9-11-17)15-6-4-3-5-7-15/h3-11,18-19H,2,12-14,20H2,1H3/t18-,19+/m1/s1.
What are the key properties of (3R,4R)-1-ethyl-4-(4-phenylphenyl)piperidin-3-amine?
(3R,4R)-1-ethyl-4-(4-phenylphenyl)piperidin-3-amine has a molecular weight of 280.42 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-ethyl-4-(4-phenylphenyl)piperidin-3-amine is sourced from PubChem (CID 68549689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).