1-(4-pentylphenyl)pyrrolidine

C15H23N — CID 168512151

IUPAC1-(4-pentylphenyl)pyrrolidine
SMILESCCCCCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H23N/c1-2-3-4-7-14-8-10-15(11-9-14)16-12-5-6-13-16/h8-11H,2-7,12-13H2,1H3
InChIKeyBLDOIOXCIPQUDJ-UHFFFAOYSA-N
MW217.36 g/mol
LogP4.02
Rot. Bonds5

About 1-(4-pentylphenyl)pyrrolidine

1-(4-pentylphenyl)pyrrolidine (PubChem CID 168512151) has the molecular formula C15H23N and a molecular weight of 217.36 g/mol. Its IUPAC name is 1-(4-pentylphenyl)pyrrolidine.

Molecular Properties

Compound Name1-(4-pentylphenyl)pyrrolidine
PubChem CID168512151
Molecular FormulaC15H23N
Molecular Weight217.36 g/mol
Exact Mass217.18
IUPAC Name1-(4-pentylphenyl)pyrrolidine
SMILESCCCCCc1ccc(N2CCCC2)cc1
InChIInChI=1S/C15H23N/c1-2-3-4-7-14-8-10-15(11-9-14)16-12-5-6-13-16/h8-11H,2-7,12-13H2,1H3
InChIKeyBLDOIOXCIPQUDJ-UHFFFAOYSA-N
XLogP4.02
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.36
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-heptylphenyl)piperidin-4-one
CID 59549861
N-methyl-4-(4-pyrrolidin-1-ylphenyl)butan-1-amine
CID 112518014
3-[4-(azepan-1-yl)phenyl]propan-1-amine
CID 28806979
2-[4-(4-octylphenyl)piperazin-1-yl]acetic acid
CID 46199361
1-[2-(4-octylphenyl)ethyl]azepane
CID 71546091
N-[(4-piperidin-1-ylphenyl)methyl]butan-1-amine
CID 29042784
N-butyl-3-(4-piperidin-1-ylphenyl)propanamide
CID 110647332
N-(4-morpholin-4-ylphenyl)-4-pentylbenzenesulfonamide
CID 3812810
1-(4-pentylphenoxy)piperidine
CID 91549351
N-hexyl-4-pyrrolidin-1-ylaniline
CID 43228680
1-butyl-4-nonylbenzene
CID 59545302
4-(4-chlorophenyl)-1-(4-heptylphenyl)piperidin-4-ol
CID 59545535

Frequently Asked Questions

What is the IUPAC name of 1-(4-pentylphenyl)pyrrolidine?
The IUPAC name of 1-(4-pentylphenyl)pyrrolidine (CID 168512151) is 1-(4-pentylphenyl)pyrrolidine.
What is the SMILES notation for 1-(4-pentylphenyl)pyrrolidine?
The canonical SMILES for 1-(4-pentylphenyl)pyrrolidine is CCCCCc1ccc(N2CCCC2)cc1.
What is the InChIKey of 1-(4-pentylphenyl)pyrrolidine?
The InChIKey is BLDOIOXCIPQUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N/c1-2-3-4-7-14-8-10-15(11-9-14)16-12-5-6-13-16/h8-11H,2-7,12-13H2,1H3.
What are the key properties of 1-(4-pentylphenyl)pyrrolidine?
1-(4-pentylphenyl)pyrrolidine has a molecular weight of 217.36 g/mol, XLogP of 4.02, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pentylphenyl)pyrrolidine is sourced from PubChem (CID 168512151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).