(3R,4S)-1-(2-ethoxyethyl)-3-methyl-2-phenylpiperidin-4-amine

C16H26N2O — CID 3079309

IUPAC(3R,4S)-1-(2-ethoxyethyl)-3-methyl-2-phenylpiperidin-4-amine
SMILESCCOCCN1CC[C@H](N)[C@@H](C)C1c1ccccc1
InChIInChI=1S/C16H26N2O/c1-3-19-12-11-18-10-9-15(17)13(2)16(18)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12,17H2,1-2H3/t13-,15+,16?/m1/s1
InChIKeyYWENPTPCTWCPKC-YISXUXMPSA-N
MW262.40 g/mol
LogP2.43
Rot. Bonds5

About (3R,4S)-1-(2-ethoxyethyl)-3-methyl-2-phenylpiperidin-4-amine

(3R,4S)-1-(2-ethoxyethyl)-3-methyl-2-phenylpiperidin-4-amine (PubChem CID 3079309) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is (3R,4S)-1-(2-ethoxyethyl)-3-methyl-2-phenylpiperidin-4-amine.

Molecular Properties

Compound Name(3R,4S)-1-(2-ethoxyethyl)-3-methyl-2-phenylpiperidin-4-amine
PubChem CID3079309
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name(3R,4S)-1-(2-ethoxyethyl)-3-methyl-2-phenylpiperidin-4-amine
SMILESCCOCCN1CC[C@H](N)[C@@H](C)C1c1ccccc1
InChIInChI=1S/C16H26N2O/c1-3-19-12-11-18-10-9-15(17)13(2)16(18)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12,17H2,1-2H3/t13-,15+,16?/m1/s1
InChIKeyYWENPTPCTWCPKC-YISXUXMPSA-N
XLogP2.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-1-(2-ethoxyethyl)-3-methyl-2-phenylpiperidin-4-amine?
The IUPAC name of (3R,4S)-1-(2-ethoxyethyl)-3-methyl-2-phenylpiperidin-4-amine (CID 3079309) is (3R,4S)-1-(2-ethoxyethyl)-3-methyl-2-phenylpiperidin-4-amine.
What is the SMILES notation for (3R,4S)-1-(2-ethoxyethyl)-3-methyl-2-phenylpiperidin-4-amine?
The canonical SMILES for (3R,4S)-1-(2-ethoxyethyl)-3-methyl-2-phenylpiperidin-4-amine is CCOCCN1CC[C@H](N)[C@@H](C)C1c1ccccc1.
What is the InChIKey of (3R,4S)-1-(2-ethoxyethyl)-3-methyl-2-phenylpiperidin-4-amine?
The InChIKey is YWENPTPCTWCPKC-YISXUXMPSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-19-12-11-18-10-9-15(17)13(2)16(18)14-7-5-4-6-8-14/h4-8,13,15-16H,3,9-12,17H2,1-2H3/t13-,15+,16?/m1/s1.
What are the key properties of (3R,4S)-1-(2-ethoxyethyl)-3-methyl-2-phenylpiperidin-4-amine?
(3R,4S)-1-(2-ethoxyethyl)-3-methyl-2-phenylpiperidin-4-amine has a molecular weight of 262.40 g/mol, XLogP of 2.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-1-(2-ethoxyethyl)-3-methyl-2-phenylpiperidin-4-amine is sourced from PubChem (CID 3079309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).