2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine

C20H26N2O — CID 16642929

IUPAC2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine
SMILESNCC(c1ccc(OCc2ccccc2)cc1)N1CCCCC1
InChIInChI=1S/C20H26N2O/c21-15-20(22-13-5-2-6-14-22)18-9-11-19(12-10-18)23-16-17-7-3-1-4-8-17/h1,3-4,7-12,20H,2,5-6,13-16,21H2
InChIKeyHOPXZCVDKWEDPB-UHFFFAOYSA-N
MW310.44 g/mol
LogP3.75
Rot. Bonds6

About 2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine

2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine (PubChem CID 16642929) has the molecular formula C20H26N2O and a molecular weight of 310.44 g/mol. Its IUPAC name is 2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine.

Molecular Properties

Compound Name2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine
PubChem CID16642929
Molecular FormulaC20H26N2O
Molecular Weight310.44 g/mol
Exact Mass310.20
IUPAC Name2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine
SMILESNCC(c1ccc(OCc2ccccc2)cc1)N1CCCCC1
InChIInChI=1S/C20H26N2O/c21-15-20(22-13-5-2-6-14-22)18-9-11-19(12-10-18)23-16-17-7-3-1-4-8-17/h1,3-4,7-12,20H,2,5-6,13-16,21H2
InChIKeyHOPXZCVDKWEDPB-UHFFFAOYSA-N
XLogP3.75
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-morpholin-4-yl-2-(4-phenylmethoxyphenyl)ethanamine
CID 16642933
4-(2-amino-1-piperidin-1-ylethyl)phenol
CID 16796139
2-[4-(2-methylpropoxy)phenyl]-2-pyrrolidin-1-ylethanamine
CID 112512800
2-[4-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylethanamine
CID 16790891
(2S)-2-(4-ethylphenyl)-2-piperidin-1-ylethanamine
CID 97182151
2-cycloheptyl-2-(4-phenylmethoxyphenyl)ethanamine
CID 83973210
(2R)-2-(4-phenylmethoxyphenyl)-2-piperazin-1-ylethanol;hydrochloride
CID 171183535
1-[(1S)-1-(4-phenylmethoxyphenyl)propyl]piperazine;dihydrochloride
CID 171281105
3-(2-methyl-4-phenylmethoxyphenyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 83937117
(2S)-2-(azepan-1-yl)-2-(4-methylphenyl)ethanamine
CID 9079311
(2R)-2-(4-ethylphenyl)-2-pyrrolidin-1-ylethanamine
CID 97182150
2-(azepan-1-yl)-2-(4-fluorophenyl)ethanamine
CID 6484142

Frequently Asked Questions

What is the IUPAC name of 2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine?
The IUPAC name of 2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine (CID 16642929) is 2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine.
What is the SMILES notation for 2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine?
The canonical SMILES for 2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine is NCC(c1ccc(OCc2ccccc2)cc1)N1CCCCC1.
What is the InChIKey of 2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine?
The InChIKey is HOPXZCVDKWEDPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O/c21-15-20(22-13-5-2-6-14-22)18-9-11-19(12-10-18)23-16-17-7-3-1-4-8-17/h1,3-4,7-12,20H,2,5-6,13-16,21H2.
What are the key properties of 2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine?
2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine has a molecular weight of 310.44 g/mol, XLogP of 3.75, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-phenylmethoxyphenyl)-2-piperidin-1-ylethanamine is sourced from PubChem (CID 16642929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).