4-(2,4-dimethylpentan-2-yl)-1-propylpiperidine

C15H31N — CID 177203749

IUPAC4-(2,4-dimethylpentan-2-yl)-1-propylpiperidine
SMILESCCCN1CCC(C(C)(C)CC(C)C)CC1
InChIInChI=1S/C15H31N/c1-6-9-16-10-7-14(8-11-16)15(4,5)12-13(2)3/h13-14H,6-12H2,1-5H3
InChIKeyYVTYAZOAQHMWAO-UHFFFAOYSA-N
MW225.42 g/mol
LogP4.18
Rot. Bonds5

About 4-(2,4-dimethylpentan-2-yl)-1-propylpiperidine

4-(2,4-dimethylpentan-2-yl)-1-propylpiperidine (PubChem CID 177203749) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is 4-(2,4-dimethylpentan-2-yl)-1-propylpiperidine.

Molecular Properties

Compound Name4-(2,4-dimethylpentan-2-yl)-1-propylpiperidine
PubChem CID177203749
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name4-(2,4-dimethylpentan-2-yl)-1-propylpiperidine
SMILESCCCN1CCC(C(C)(C)CC(C)C)CC1
InChIInChI=1S/C15H31N/c1-6-9-16-10-7-14(8-11-16)15(4,5)12-13(2)3/h13-14H,6-12H2,1-5H3
InChIKeyYVTYAZOAQHMWAO-UHFFFAOYSA-N
XLogP4.18
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2,4-dimethylpentan-2-yl)-1-(2-methylbutan-2-yl)piperidine
CID 153330318
4-[(2R)-3,3-dimethylbutan-2-yl]-1-propylpiperidine
CID 71102045
1-propyl-4-[(1-propylpiperidin-4-yl)methyl]piperidine
CID 172611487
2,4-dimethyl-2-(4-propylpiperazin-1-yl)pentan-1-amine
CID 24705230
3,3-dimethyl-N-[1-(1-propylpiperidin-4-yl)ethyl]butan-2-amine
CID 113457709
5-[4-(2,4-dimethylpentan-2-yl)piperidin-1-yl]-2,4,4,5-tetramethylhexan-3-one
CID 177062061
N-(2-methylpropoxy)-1-propylpiperidin-4-amine
CID 82710051
3-(2,4-dimethylpentan-2-yl)-1-propan-2-ylazetidine
CID 167001874
2-methyl-1-[1-(1-propylpiperidin-4-yl)ethylamino]pentan-2-ol
CID 106290472
N-[(1S)-1-cycloheptylethyl]-1-propylpiperidin-4-amine
CID 81388196
butane;2-methylbutane;1-propylpyrrolidine
CID 161374210
1-(3,3-dimethylbutyl)-4-propan-2-ylpiperidine
CID 135173969

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dimethylpentan-2-yl)-1-propylpiperidine?
The IUPAC name of 4-(2,4-dimethylpentan-2-yl)-1-propylpiperidine (CID 177203749) is 4-(2,4-dimethylpentan-2-yl)-1-propylpiperidine.
What is the SMILES notation for 4-(2,4-dimethylpentan-2-yl)-1-propylpiperidine?
The canonical SMILES for 4-(2,4-dimethylpentan-2-yl)-1-propylpiperidine is CCCN1CCC(C(C)(C)CC(C)C)CC1.
What is the InChIKey of 4-(2,4-dimethylpentan-2-yl)-1-propylpiperidine?
The InChIKey is YVTYAZOAQHMWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N/c1-6-9-16-10-7-14(8-11-16)15(4,5)12-13(2)3/h13-14H,6-12H2,1-5H3.
What are the key properties of 4-(2,4-dimethylpentan-2-yl)-1-propylpiperidine?
4-(2,4-dimethylpentan-2-yl)-1-propylpiperidine has a molecular weight of 225.42 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dimethylpentan-2-yl)-1-propylpiperidine is sourced from PubChem (CID 177203749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).