(3S)-1-[(4-ethoxy-3,4-dimethyl-4aH-naphthalen-1-yl)methyl]piperidin-3-amine

C20H30N2O — CID 178016884

IUPAC(3S)-1-[(4-ethoxy-3,4-dimethyl-4aH-naphthalen-1-yl)methyl]piperidin-3-amine
SMILESCCOC1(C)C(C)=CC(CN2CCC[C@H](N)C2)=C2C=CC=CC21
InChIInChI=1S/C20H30N2O/c1-4-23-20(3)15(2)12-16(18-9-5-6-10-19(18)20)13-22-11-7-8-17(21)14-22/h5-6,9-10,12,17,19H,4,7-8,11,13-14,21H2,1-3H3/t17-,19?,20?/m0/s1
InChIKeyLQALZBJVHWMCMZ-KKXNLOMOSA-N
MW314.47 g/mol
LogP3.20
Rot. Bonds4

About (3S)-1-[(4-ethoxy-3,4-dimethyl-4aH-naphthalen-1-yl)methyl]piperidin-3-amine

(3S)-1-[(4-ethoxy-3,4-dimethyl-4aH-naphthalen-1-yl)methyl]piperidin-3-amine (PubChem CID 178016884) has the molecular formula C20H30N2O and a molecular weight of 314.47 g/mol. Its IUPAC name is (3S)-1-[(4-ethoxy-3,4-dimethyl-4aH-naphthalen-1-yl)methyl]piperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-[(4-ethoxy-3,4-dimethyl-4aH-naphthalen-1-yl)methyl]piperidin-3-amine
PubChem CID178016884
Molecular FormulaC20H30N2O
Molecular Weight314.47 g/mol
Exact Mass314.24
IUPAC Name(3S)-1-[(4-ethoxy-3,4-dimethyl-4aH-naphthalen-1-yl)methyl]piperidin-3-amine
SMILESCCOC1(C)C(C)=CC(CN2CCC[C@H](N)C2)=C2C=CC=CC21
InChIInChI=1S/C20H30N2O/c1-4-23-20(3)15(2)12-16(18-9-5-6-10-19(18)20)13-22-11-7-8-17(21)14-22/h5-6,9-10,12,17,19H,4,7-8,11,13-14,21H2,1-3H3/t17-,19?,20?/m0/s1
InChIKeyLQALZBJVHWMCMZ-KKXNLOMOSA-N
XLogP3.20
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.47
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (3S)-1-[(4-ethoxy-3,4-dimethyl-4aH-naphthalen-1-yl)methyl]piperidin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(4-ethoxy-3,4-dimethyl-4aH-naphthalen-1-yl)methyl]piperidin-3-amine?
The IUPAC name of (3S)-1-[(4-ethoxy-3,4-dimethyl-4aH-naphthalen-1-yl)methyl]piperidin-3-amine (CID 178016884) is (3S)-1-[(4-ethoxy-3,4-dimethyl-4aH-naphthalen-1-yl)methyl]piperidin-3-amine.
What is the SMILES notation for (3S)-1-[(4-ethoxy-3,4-dimethyl-4aH-naphthalen-1-yl)methyl]piperidin-3-amine?
The canonical SMILES for (3S)-1-[(4-ethoxy-3,4-dimethyl-4aH-naphthalen-1-yl)methyl]piperidin-3-amine is CCOC1(C)C(C)=CC(CN2CCC[C@H](N)C2)=C2C=CC=CC21.
What is the InChIKey of (3S)-1-[(4-ethoxy-3,4-dimethyl-4aH-naphthalen-1-yl)methyl]piperidin-3-amine?
The InChIKey is LQALZBJVHWMCMZ-KKXNLOMOSA-N. The full InChI is InChI=1S/C20H30N2O/c1-4-23-20(3)15(2)12-16(18-9-5-6-10-19(18)20)13-22-11-7-8-17(21)14-22/h5-6,9-10,12,17,19H,4,7-8,11,13-14,21H2,1-3H3/t17-,19?,20?/m0/s1.
What are the key properties of (3S)-1-[(4-ethoxy-3,4-dimethyl-4aH-naphthalen-1-yl)methyl]piperidin-3-amine?
(3S)-1-[(4-ethoxy-3,4-dimethyl-4aH-naphthalen-1-yl)methyl]piperidin-3-amine has a molecular weight of 314.47 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(4-ethoxy-3,4-dimethyl-4aH-naphthalen-1-yl)methyl]piperidin-3-amine is sourced from PubChem (CID 178016884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).