(3S)-1-propyl-3-(3-propylphenyl)piperidine

C17H27N — CID 10060449

IUPAC(3S)-1-propyl-3-(3-propylphenyl)piperidine
SMILESCCCc1cccc([C@@H]2CCCN(CCC)C2)c1
InChIInChI=1S/C17H27N/c1-3-7-15-8-5-9-16(13-15)17-10-6-12-18(14-17)11-4-2/h5,8-9,13,17H,3-4,6-7,10-12,14H2,1-2H3/t17-/m1/s1
InChIKeySXCBTZZPBYWDRW-QGZVFWFLSA-N
MW245.41 g/mol
LogP4.23
Rot. Bonds5

About (3S)-1-propyl-3-(3-propylphenyl)piperidine

(3S)-1-propyl-3-(3-propylphenyl)piperidine (PubChem CID 10060449) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is (3S)-1-propyl-3-(3-propylphenyl)piperidine.

Molecular Properties

Compound Name(3S)-1-propyl-3-(3-propylphenyl)piperidine
PubChem CID10060449
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC Name(3S)-1-propyl-3-(3-propylphenyl)piperidine
SMILESCCCc1cccc([C@@H]2CCCN(CCC)C2)c1
InChIInChI=1S/C17H27N/c1-3-7-15-8-5-9-16(13-15)17-10-6-12-18(14-17)11-4-2/h5,8-9,13,17H,3-4,6-7,10-12,14H2,1-2H3/t17-/m1/s1
InChIKeySXCBTZZPBYWDRW-QGZVFWFLSA-N
XLogP4.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.41
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-propyl-3-(3-propylphenyl)piperidine?
The IUPAC name of (3S)-1-propyl-3-(3-propylphenyl)piperidine (CID 10060449) is (3S)-1-propyl-3-(3-propylphenyl)piperidine.
What is the SMILES notation for (3S)-1-propyl-3-(3-propylphenyl)piperidine?
The canonical SMILES for (3S)-1-propyl-3-(3-propylphenyl)piperidine is CCCc1cccc([C@@H]2CCCN(CCC)C2)c1.
What is the InChIKey of (3S)-1-propyl-3-(3-propylphenyl)piperidine?
The InChIKey is SXCBTZZPBYWDRW-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H27N/c1-3-7-15-8-5-9-16(13-15)17-10-6-12-18(14-17)11-4-2/h5,8-9,13,17H,3-4,6-7,10-12,14H2,1-2H3/t17-/m1/s1.
What are the key properties of (3S)-1-propyl-3-(3-propylphenyl)piperidine?
(3S)-1-propyl-3-(3-propylphenyl)piperidine has a molecular weight of 245.41 g/mol, XLogP of 4.23, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-propyl-3-(3-propylphenyl)piperidine is sourced from PubChem (CID 10060449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).