3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid

C25H36N2O3 — CID 158283333

IUPAC3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid
SMILESCC(C)C(=O)O.NCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H28N2O.C4H8O2/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;1-3(2)4(5)6/h1-6,8-11,20-21H,7,12-17,22H2;3H,1-2H3,(H,5,6)
InChIKeyGKLVYRNOZDWSKE-UHFFFAOYSA-N
MW412.57 g/mol
LogP4.33
Rot. Bonds8

About 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid

3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid (PubChem CID 158283333) has the molecular formula C25H36N2O3 and a molecular weight of 412.57 g/mol. Its IUPAC name is 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid.

Molecular Properties

Compound Name3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid
PubChem CID158283333
Molecular FormulaC25H36N2O3
Molecular Weight412.57 g/mol
Exact Mass412.27
IUPAC Name3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid
SMILESCC(C)C(=O)O.NCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C21H28N2O.C4H8O2/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;1-3(2)4(5)6/h1-6,8-11,20-21H,7,12-17,22H2;3H,1-2H3,(H,5,6)
InChIKeyGKLVYRNOZDWSKE-UHFFFAOYSA-N
XLogP4.33
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.57
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine
CID 10969393
methyl 6-[4-[phenyl-(4-propan-2-ylphenyl)methoxy]piperidin-1-yl]hexanoate
CID 139601779
2-[4-(4-benzhydryloxypiperidin-1-yl)butyl]-4-propan-2-ylbenzoic acid
CID 68881168
ethyl 6-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]hexanoate
CID 19874399
7-[4-[(4-ethylphenyl)-phenylmethoxy]piperidin-1-yl]heptanoic acid
CID 139601792
2-[2-[4-[(4-methylphenyl)-phenylmethoxy]piperidin-1-yl]ethoxy]acetic acid
CID 19874364
6-[4-[phenyl-(4-propylphenyl)methoxy]piperidin-1-yl]hexanoic acid;hydrochloride
CID 67903314
ethyl 4-[4-[phenyl-(4-propylphenyl)methoxy]piperidin-1-yl]butanoate
CID 139601780
2-[4-[(4-methoxyphenyl)-phenylmethoxy]piperidin-1-yl]ethyl acetate
CID 70366445
ethyl 4-[4-[(3-chlorophenyl)-phenylmethoxy]piperidin-1-yl]butanoate
CID 54498618
5-[4-(4-benzhydryloxypiperidin-1-yl)butyl]-1,2-dihydropyrazol-3-one
CID 139981398
1-amino-3-(4-benzhydryloxypiperidin-1-yl)propan-2-ol
CID 22989280

Frequently Asked Questions

What is the IUPAC name of 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid?
The IUPAC name of 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid (CID 158283333) is 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid.
What is the SMILES notation for 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid?
The canonical SMILES for 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid is CC(C)C(=O)O.NCCCN1CCC(OC(c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid?
The InChIKey is GKLVYRNOZDWSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O.C4H8O2/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;1-3(2)4(5)6/h1-6,8-11,20-21H,7,12-17,22H2;3H,1-2H3,(H,5,6).
What are the key properties of 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid?
3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid has a molecular weight of 412.57 g/mol, XLogP of 4.33, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-benzhydryloxypiperidin-1-yl)propan-1-amine;2-methylpropanoic acid is sourced from PubChem (CID 158283333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).