benzyl 4-(3-phenylpropyl)piperidine-1-carboxylate

C22H27NO2 — CID 134943895

IUPACbenzyl 4-(3-phenylpropyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(CCCc2ccccc2)CC1
InChIInChI=1S/C22H27NO2/c24-22(25-18-21-10-5-2-6-11-21)23-16-14-20(15-17-23)13-7-12-19-8-3-1-4-9-19/h1-6,8-11,20H,7,12-18H2
InChIKeyUFLIMIZDIRSFBD-UHFFFAOYSA-N
MW337.46 g/mol
LogP5.06
Rot. Bonds6

About benzyl 4-(3-phenylpropyl)piperidine-1-carboxylate

benzyl 4-(3-phenylpropyl)piperidine-1-carboxylate (PubChem CID 134943895) has the molecular formula C22H27NO2 and a molecular weight of 337.46 g/mol. Its IUPAC name is benzyl 4-(3-phenylpropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(3-phenylpropyl)piperidine-1-carboxylate
PubChem CID134943895
Molecular FormulaC22H27NO2
Molecular Weight337.46 g/mol
Exact Mass337.20
IUPAC Namebenzyl 4-(3-phenylpropyl)piperidine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCC(CCCc2ccccc2)CC1
InChIInChI=1S/C22H27NO2/c24-22(25-18-21-10-5-2-6-11-21)23-16-14-20(15-17-23)13-7-12-19-8-3-1-4-9-19/h1-6,8-11,20H,7,12-18H2
InChIKeyUFLIMIZDIRSFBD-UHFFFAOYSA-N
XLogP5.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.46
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of benzyl 4-(3-phenylpropyl)piperidine-1-carboxylate?
The IUPAC name of benzyl 4-(3-phenylpropyl)piperidine-1-carboxylate (CID 134943895) is benzyl 4-(3-phenylpropyl)piperidine-1-carboxylate.
What is the SMILES notation for benzyl 4-(3-phenylpropyl)piperidine-1-carboxylate?
The canonical SMILES for benzyl 4-(3-phenylpropyl)piperidine-1-carboxylate is O=C(OCc1ccccc1)N1CCC(CCCc2ccccc2)CC1.
What is the InChIKey of benzyl 4-(3-phenylpropyl)piperidine-1-carboxylate?
The InChIKey is UFLIMIZDIRSFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27NO2/c24-22(25-18-21-10-5-2-6-11-21)23-16-14-20(15-17-23)13-7-12-19-8-3-1-4-9-19/h1-6,8-11,20H,7,12-18H2.
What are the key properties of benzyl 4-(3-phenylpropyl)piperidine-1-carboxylate?
benzyl 4-(3-phenylpropyl)piperidine-1-carboxylate has a molecular weight of 337.46 g/mol, XLogP of 5.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(3-phenylpropyl)piperidine-1-carboxylate is sourced from PubChem (CID 134943895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).