butyl 4-[1-amino-2-(2-methoxyphenyl)ethyl]-4-phenylpiperidine-1-carboxylate

C25H34N2O3 — CID 22922288

IUPACbutyl 4-[1-amino-2-(2-methoxyphenyl)ethyl]-4-phenylpiperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(c2ccccc2)(C(N)Cc2ccccc2OC)CC1
InChIInChI=1S/C25H34N2O3/c1-3-4-18-30-24(28)27-16-14-25(15-17-27,21-11-6-5-7-12-21)23(26)19-20-10-8-9-13-22(20)29-2/h5-13,23H,3-4,14-19,26H2,1-2H3
InChIKeySXNVPFOXRBMYOU-UHFFFAOYSA-N
MW410.56 g/mol
LogP4.54
Rot. Bonds8

About butyl 4-[1-amino-2-(2-methoxyphenyl)ethyl]-4-phenylpiperidine-1-carboxylate

butyl 4-[1-amino-2-(2-methoxyphenyl)ethyl]-4-phenylpiperidine-1-carboxylate (PubChem CID 22922288) has the molecular formula C25H34N2O3 and a molecular weight of 410.56 g/mol. Its IUPAC name is butyl 4-[1-amino-2-(2-methoxyphenyl)ethyl]-4-phenylpiperidine-1-carboxylate.

Molecular Properties

Compound Namebutyl 4-[1-amino-2-(2-methoxyphenyl)ethyl]-4-phenylpiperidine-1-carboxylate
PubChem CID22922288
Molecular FormulaC25H34N2O3
Molecular Weight410.56 g/mol
Exact Mass410.26
IUPAC Namebutyl 4-[1-amino-2-(2-methoxyphenyl)ethyl]-4-phenylpiperidine-1-carboxylate
SMILESCCCCOC(=O)N1CCC(c2ccccc2)(C(N)Cc2ccccc2OC)CC1
InChIInChI=1S/C25H34N2O3/c1-3-4-18-30-24(28)27-16-14-25(15-17-27,21-11-6-5-7-12-21)23(26)19-20-10-8-9-13-22(20)29-2/h5-13,23H,3-4,14-19,26H2,1-2H3
InChIKeySXNVPFOXRBMYOU-UHFFFAOYSA-N
XLogP4.54
TPSA64.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

butyl 4-(1-hydroxyethyl)-4-phenylpiperidine-1-carboxylate
CID 19960200
1-butoxycarbonyl-4-naphthalen-2-ylpiperidine-4-carboxylic acid
CID 19044683
ethyl 4-[2-(2-methoxyphenyl)acetyl]piperazine-1-carboxylate
CID 694651
butyl 4-phenylpiperidine-1-carboxylate
CID 22918551
1-butoxycarbonyl-4-methylpiperidine-4-carboxylic acid
CID 66661220
butyl aziridine-1-carboxylate
CID 12641
butyl 2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate
CID 70245325
butyl 4-[(4-fluorophenyl)methyl]-4-(hydroxymethyl)piperidine-1-carboxylate
CID 118310148
butyl 4-cyano-4-pyridin-2-ylpiperidine-1-carboxylate
CID 23194322
1-butoxycarbonyl-4-(2-methoxyethoxy)piperidine-4-carboxylic acid
CID 67036881
3-(2-butoxyphenyl)-2-(2-methoxyphenyl)propanoic acid
CID 83954492
butyl 1-benzyl-2-oxospiro[indole-3,4'-piperidine]-1'-carboxylate
CID 144930300

Frequently Asked Questions

What is the IUPAC name of butyl 4-[1-amino-2-(2-methoxyphenyl)ethyl]-4-phenylpiperidine-1-carboxylate?
The IUPAC name of butyl 4-[1-amino-2-(2-methoxyphenyl)ethyl]-4-phenylpiperidine-1-carboxylate (CID 22922288) is butyl 4-[1-amino-2-(2-methoxyphenyl)ethyl]-4-phenylpiperidine-1-carboxylate.
What is the SMILES notation for butyl 4-[1-amino-2-(2-methoxyphenyl)ethyl]-4-phenylpiperidine-1-carboxylate?
The canonical SMILES for butyl 4-[1-amino-2-(2-methoxyphenyl)ethyl]-4-phenylpiperidine-1-carboxylate is CCCCOC(=O)N1CCC(c2ccccc2)(C(N)Cc2ccccc2OC)CC1.
What is the InChIKey of butyl 4-[1-amino-2-(2-methoxyphenyl)ethyl]-4-phenylpiperidine-1-carboxylate?
The InChIKey is SXNVPFOXRBMYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N2O3/c1-3-4-18-30-24(28)27-16-14-25(15-17-27,21-11-6-5-7-12-21)23(26)19-20-10-8-9-13-22(20)29-2/h5-13,23H,3-4,14-19,26H2,1-2H3.
What are the key properties of butyl 4-[1-amino-2-(2-methoxyphenyl)ethyl]-4-phenylpiperidine-1-carboxylate?
butyl 4-[1-amino-2-(2-methoxyphenyl)ethyl]-4-phenylpiperidine-1-carboxylate has a molecular weight of 410.56 g/mol, XLogP of 4.54, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[1-amino-2-(2-methoxyphenyl)ethyl]-4-phenylpiperidine-1-carboxylate is sourced from PubChem (CID 22922288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).