(2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine

C21H28N2O — CID 125173222

IUPAC(2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine
SMILESC[C@@H](CN)Oc1ccc(CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2O/c1-17(15-22)24-21-9-7-18(8-10-21)16-23-13-11-20(12-14-23)19-5-3-2-4-6-19/h2-10,17,20H,11-16,22H2,1H3/t17-/m0/s1
InChIKeyADUJFNPQFPHCJG-KRWDZBQOSA-N
MW324.47 g/mol
LogP3.79
Rot. Bonds6

About (2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine

(2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine (PubChem CID 125173222) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is (2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine.

Molecular Properties

Compound Name(2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine
PubChem CID125173222
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name(2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine
SMILESC[C@@H](CN)Oc1ccc(CN2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C21H28N2O/c1-17(15-22)24-21-9-7-18(8-10-21)16-23-13-11-20(12-14-23)19-5-3-2-4-6-19/h2-10,17,20H,11-16,22H2,1H3/t17-/m0/s1
InChIKeyADUJFNPQFPHCJG-KRWDZBQOSA-N
XLogP3.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine with MolForge

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

Launch Full Analysis

Related Compounds

(2S)-2-[4-[(4-phenylpiperazin-1-yl)methyl]phenoxy]propan-1-amine
CID 125161827
N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]thiophene-2-carboxamide
CID 42472395
N-[(2R)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide
CID 42407485
N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]pyridine-3-carboxamide
CID 45173659
N-[2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propyl]-1,3-thiazole-5-carboxamide
CID 45179702
2-[4-[(4-phenylpiperidin-1-yl)methyl]phenyl]acetamide
CID 70002970
4-[(4-phenylpiperidin-1-yl)methyl]benzoic acid;hydrochloride
CID 146018012
1-[(4-methoxyphenyl)methyl]-4-(2-phenoxypropyl)piperazine
CID 21472218
2-[4-((1,2,3,4,5,6-13C6)cyclohexatrienyl)(3,4,5-13C3)azinan-1-yl]-1,1,2,2-tetradeuterio(113C)ethanamine
CID 89308417
4-phenyl-1-[[4-[[(3R)-piperidin-3-yl]methoxy]phenyl]methyl]piperidine
CID 125156876
1-[(4-fluorophenyl)methyl]-3-phenylpyrrolidine
CID 60603464
N-hydroxy-4-[(4-phenylpiperidin-1-yl)methyl]benzamide
CID 163366143

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine?
The IUPAC name of (2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine (CID 125173222) is (2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine.
What is the SMILES notation for (2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine?
The canonical SMILES for (2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine is C[C@@H](CN)Oc1ccc(CN2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of (2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine?
The InChIKey is ADUJFNPQFPHCJG-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H28N2O/c1-17(15-22)24-21-9-7-18(8-10-21)16-23-13-11-20(12-14-23)19-5-3-2-4-6-19/h2-10,17,20H,11-16,22H2,1H3/t17-/m0/s1.
What are the key properties of (2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine?
(2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine has a molecular weight of 324.47 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[4-[(4-phenylpiperidin-1-yl)methyl]phenoxy]propan-1-amine is sourced from PubChem (CID 125173222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).