4-butyl-1-(4-methylphenyl)piperidine

C16H25N — CID 54491585

IUPAC4-butyl-1-(4-methylphenyl)piperidine
SMILESCCCCC1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C16H25N/c1-3-4-5-15-10-12-17(13-11-15)16-8-6-14(2)7-9-16/h6-9,15H,3-5,10-13H2,1-2H3
InChIKeyCZNFTYGOZMOFDA-UHFFFAOYSA-N
MW231.38 g/mol
LogP4.40
Rot. Bonds4

About 4-butyl-1-(4-methylphenyl)piperidine

4-butyl-1-(4-methylphenyl)piperidine (PubChem CID 54491585) has the molecular formula C16H25N and a molecular weight of 231.38 g/mol. Its IUPAC name is 4-butyl-1-(4-methylphenyl)piperidine.

Molecular Properties

Compound Name4-butyl-1-(4-methylphenyl)piperidine
PubChem CID54491585
Molecular FormulaC16H25N
Molecular Weight231.38 g/mol
Exact Mass231.20
IUPAC Name4-butyl-1-(4-methylphenyl)piperidine
SMILESCCCCC1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C16H25N/c1-3-4-5-15-10-12-17(13-11-15)16-8-6-14(2)7-9-16/h6-9,15H,3-5,10-13H2,1-2H3
InChIKeyCZNFTYGOZMOFDA-UHFFFAOYSA-N
XLogP4.40
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-(4-decylpiperidin-1-yl)benzoic acid
CID 86127158
4-(4-propylpiperidin-1-yl)phenol
CID 165358736
2-[1-(4-methylphenyl)piperidin-4-yl]acetonitrile
CID 117003604
4-[4-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperidin-1-yl]aniline
CID 89182130
4-benzyl-1-(4-methylphenyl)piperidine
CID 101028203
2-[1-(4-methylphenyl)pyrrolidin-3-yl]ethanol
CID 117028445
1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine
CID 23383617
4-octyl-1-[4-[4-(4,4,4-trifluorobutoxy)phenyl]phenyl]piperidine
CID 70190504
1-[[1-(4-methylphenyl)piperidin-4-yl]methyl]piperazine
CID 171070054
1-hexyl-4-[3-(4-methylphenyl)propyl]piperidine
CID 86175375
N,N-dibutyl-4-(4-ethylpiperidin-1-yl)aniline
CID 174155713
4-(4-methylpentyl)-1-(4-propan-2-ylphenyl)piperidine
CID 176934369

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-(4-methylphenyl)piperidine?
The IUPAC name of 4-butyl-1-(4-methylphenyl)piperidine (CID 54491585) is 4-butyl-1-(4-methylphenyl)piperidine.
What is the SMILES notation for 4-butyl-1-(4-methylphenyl)piperidine?
The canonical SMILES for 4-butyl-1-(4-methylphenyl)piperidine is CCCCC1CCN(c2ccc(C)cc2)CC1.
What is the InChIKey of 4-butyl-1-(4-methylphenyl)piperidine?
The InChIKey is CZNFTYGOZMOFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N/c1-3-4-5-15-10-12-17(13-11-15)16-8-6-14(2)7-9-16/h6-9,15H,3-5,10-13H2,1-2H3.
What are the key properties of 4-butyl-1-(4-methylphenyl)piperidine?
4-butyl-1-(4-methylphenyl)piperidine has a molecular weight of 231.38 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-(4-methylphenyl)piperidine is sourced from PubChem (CID 54491585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).