3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine

C21H28N2O — CID 10969393

IUPAC3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine
SMILESNCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c22-14-7-15-23-16-12-20(13-17-23)24-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17,22H2
InChIKeyWAPIJQWOKCBFIC-UHFFFAOYSA-N
MW324.47 g/mol
LogP3.61
Rot. Bonds7

About 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine

3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine (PubChem CID 10969393) has the molecular formula C21H28N2O and a molecular weight of 324.47 g/mol. Its IUPAC name is 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine
PubChem CID10969393
Molecular FormulaC21H28N2O
Molecular Weight324.47 g/mol
Exact Mass324.22
IUPAC Name3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine
SMILESNCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H28N2O/c22-14-7-15-23-16-12-20(13-17-23)24-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17,22H2
InChIKeyWAPIJQWOKCBFIC-UHFFFAOYSA-N
XLogP3.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.47
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid
CID 158283333
1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol
CID 22989280
ethyl 6-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoate
CID 19874399
5-[4-(4-benzhydryloxypiperidin-1-yl)butyl]-1,2-dihydropyrazol-3-one
CID 139981398
7-[4-[(4-ethylphenyl)-phenylmethoxy]piperidin-1-yl]heptanoic acid
CID 139601792
(3R)-1-butyl-3-[(R)-(4-chlorophenyl)-phenylmethoxy]pyrrolidine
CID 124526306
2-[3-[4-[phenyl(pyridin-3-yl)methoxy]piperidin-1-yl]propoxy]aniline
CID 19776747
methyl 6-[4-[phenyl-(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]hexanoate
CID 139601779
4-(4-benzhydrylpiperidin-1-yl)butan-1-amine
CID 21192630
3-[3-(4-benzhydryloxypiperidin-1-yl)propyl]-1H-quinazoline-2,4-dione
CID 22449877
ethyl 4-[4-[phenyl-(4-propylphenyl)methoxy]piperidin-1-yl]butanoate
CID 139601780
6-[4-[phenyl-(4-propylphenyl)methoxy]piperidin-1-yl]hexanoic acid;hydrochloride
CID 67903314

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine?
The IUPAC name of 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine (CID 10969393) is 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine.
What is the SMILES notation for 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine?
The canonical SMILES for 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine is NCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine?
The InChIKey is WAPIJQWOKCBFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O/c22-14-7-15-23-16-12-20(13-17-23)24-21(18-8-3-1-4-9-18)19-10-5-2-6-11-19/h1-6,8-11,20-21H,7,12-17,22H2.
What are the key properties of 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine?
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine has a molecular weight of 324.47 g/mol, XLogP of 3.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine is sourced from PubChem (CID 10969393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).