3-phenylpropyl 3-propylpiperidine-3-carboxylate

C18H27NO2 — CID 63138075

IUPAC3-phenylpropyl 3-propylpiperidine-3-carboxylate
SMILESCCCC1(C(=O)OCCCc2ccccc2)CCCNC1
InChIInChI=1S/C18H27NO2/c1-2-11-18(12-7-13-19-15-18)17(20)21-14-6-10-16-8-4-3-5-9-16/h3-5,8-9,19H,2,6-7,10-15H2,1H3
InChIKeyQZICPVOLPSIOOZ-UHFFFAOYSA-N
MW289.42 g/mol
LogP3.33
Rot. Bonds7

About 3-phenylpropyl 3-propylpiperidine-3-carboxylate

3-phenylpropyl 3-propylpiperidine-3-carboxylate (PubChem CID 63138075) has the molecular formula C18H27NO2 and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-phenylpropyl 3-propylpiperidine-3-carboxylate.

Molecular Properties

Compound Name3-phenylpropyl 3-propylpiperidine-3-carboxylate
PubChem CID63138075
Molecular FormulaC18H27NO2
Molecular Weight289.42 g/mol
Exact Mass289.20
IUPAC Name3-phenylpropyl 3-propylpiperidine-3-carboxylate
SMILESCCCC1(C(=O)OCCCc2ccccc2)CCCNC1
InChIInChI=1S/C18H27NO2/c1-2-11-18(12-7-13-19-15-18)17(20)21-14-6-10-16-8-4-3-5-9-16/h3-5,8-9,19H,2,6-7,10-15H2,1H3
InChIKeyQZICPVOLPSIOOZ-UHFFFAOYSA-N
XLogP3.33
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-phenylpropyl 3-propylpyrrolidine-3-carboxylate
CID 63145986
ethyl (3R)-3-(3-phenylpropyl)piperidine-3-carboxylate
CID 95220722
pentyl 3-propylpiperidine-3-carboxylate
CID 55166073
ethyl (3S)-3-benzylpiperidine-3-carboxylate
CID 10800527
3,3-dimethylbutyl 3-propylpiperidine-3-carboxylate
CID 66225091
2-(2-methylpropoxy)ethyl 3-propylpiperidine-3-carboxylate
CID 106448068
thiophen-2-ylmethyl 3-propylpiperidine-3-carboxylate
CID 63137943
methyl 3-propylpiperidine-3-carboxylate
CID 56773807
N-ethyl-N-(2-phenylethyl)-3-propylpyrrolidine-3-carboxamide
CID 63144020
N,3-diethyl-N-(2-phenylethyl)piperidine-3-carboxamide
CID 63131546
ethyl 3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
CID 56753093
ethyl (3R)-3-[(2-methylphenyl)methyl]piperidine-3-carboxylate
CID 95213169

Frequently Asked Questions

What is the IUPAC name of 3-phenylpropyl 3-propylpiperidine-3-carboxylate?
The IUPAC name of 3-phenylpropyl 3-propylpiperidine-3-carboxylate (CID 63138075) is 3-phenylpropyl 3-propylpiperidine-3-carboxylate.
What is the SMILES notation for 3-phenylpropyl 3-propylpiperidine-3-carboxylate?
The canonical SMILES for 3-phenylpropyl 3-propylpiperidine-3-carboxylate is CCCC1(C(=O)OCCCc2ccccc2)CCCNC1.
What is the InChIKey of 3-phenylpropyl 3-propylpiperidine-3-carboxylate?
The InChIKey is QZICPVOLPSIOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27NO2/c1-2-11-18(12-7-13-19-15-18)17(20)21-14-6-10-16-8-4-3-5-9-16/h3-5,8-9,19H,2,6-7,10-15H2,1H3.
What are the key properties of 3-phenylpropyl 3-propylpiperidine-3-carboxylate?
3-phenylpropyl 3-propylpiperidine-3-carboxylate has a molecular weight of 289.42 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpropyl 3-propylpiperidine-3-carboxylate is sourced from PubChem (CID 63138075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).