1-(4,4-dimethylpentyl)-4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine

C24H41N — CID 155706081

IUPAC1-(4,4-dimethylpentyl)-4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine
SMILESCC(C)(C)CCCN1CCC(Cc2ccc(CC(C)(C)C)cc2)CC1
InChIInChI=1S/C24H41N/c1-23(2,3)14-7-15-25-16-12-21(13-17-25)18-20-8-10-22(11-9-20)19-24(4,5)6/h8-11,21H,7,12-19H2,1-6H3
InChIKeyKHPCXKKOIRLRHP-UHFFFAOYSA-N
MW343.60 g/mol
LogP6.36
Rot. Bonds6

About 1-(4,4-dimethylpentyl)-4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine

1-(4,4-dimethylpentyl)-4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine (PubChem CID 155706081) has the molecular formula C24H41N and a molecular weight of 343.60 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)-4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine.

Molecular Properties

Compound Name1-(4,4-dimethylpentyl)-4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine
PubChem CID155706081
Molecular FormulaC24H41N
Molecular Weight343.60 g/mol
Exact Mass343.32
IUPAC Name1-(4,4-dimethylpentyl)-4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine
SMILESCC(C)(C)CCCN1CCC(Cc2ccc(CC(C)(C)C)cc2)CC1
InChIInChI=1S/C24H41N/c1-23(2,3)14-7-15-25-16-12-21(13-17-25)18-20-8-10-22(11-9-20)19-24(4,5)6/h8-11,21H,7,12-19H2,1-6H3
InChIKeyKHPCXKKOIRLRHP-UHFFFAOYSA-N
XLogP6.36
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.60
LogP ≤ 56.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-[2-[4-(2,2-dimethylpropyl)phenoxy]ethyl]-1-pentylpiperidine
CID 167068129
1-(3,3-dimethylbutyl)-4-(4,4-dimethylpentyl)piperidine
CID 176826648
4-benzyl-1-[(3-tert-butylcyclopentyl)methyl]piperidine
CID 58110987
4-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]butan-1-ol
CID 110931792
4-benzyl-1-(4-methylpentyl)piperidine
CID 155778719
1-amino-4-(4-benzylpiperidin-1-yl)-2-methylbutan-2-ol
CID 64818556
1-[3-(4-fluorophenoxy)propyl]-4-[(4-fluorophenyl)methyl]piperidine
CID 10831375
2-[4-[(4-propylphenyl)methyl]piperidin-1-yl]ethanamine
CID 116926581
1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
CID 39350302
1-tert-butyl-4-[[1-(5,5-dimethylhexyl)piperidin-4-yl]methyl]piperazine
CID 155244121
2-[4-[(4-bromophenyl)methyl]piperidin-1-yl]ethanamine
CID 116926572
N-[3-(4-benzylpiperidin-1-yl)propyl]-2-methylaniline;dihydrochloride
CID 70100793

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentyl)-4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine?
The IUPAC name of 1-(4,4-dimethylpentyl)-4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine (CID 155706081) is 1-(4,4-dimethylpentyl)-4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine.
What is the SMILES notation for 1-(4,4-dimethylpentyl)-4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine?
The canonical SMILES for 1-(4,4-dimethylpentyl)-4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine is CC(C)(C)CCCN1CCC(Cc2ccc(CC(C)(C)C)cc2)CC1.
What is the InChIKey of 1-(4,4-dimethylpentyl)-4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine?
The InChIKey is KHPCXKKOIRLRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H41N/c1-23(2,3)14-7-15-25-16-12-21(13-17-25)18-20-8-10-22(11-9-20)19-24(4,5)6/h8-11,21H,7,12-19H2,1-6H3.
What are the key properties of 1-(4,4-dimethylpentyl)-4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine?
1-(4,4-dimethylpentyl)-4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine has a molecular weight of 343.60 g/mol, XLogP of 6.36, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentyl)-4-[[4-(2,2-dimethylpropyl)phenyl]methyl]piperidine is sourced from PubChem (CID 155706081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).