4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine

C18H37N — CID 167107327

IUPAC4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine
SMILESCCC(C)CCC(C)CC1CCN(CC(C)C)CC1
InChIInChI=1S/C18H37N/c1-6-16(4)7-8-17(5)13-18-9-11-19(12-10-18)14-15(2)3/h15-18H,6-14H2,1-5H3
InChIKeyXAKFPIKIFUZONG-UHFFFAOYSA-N
MW267.50 g/mol
LogP5.21
Rot. Bonds8

About 4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine

4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine (PubChem CID 167107327) has the molecular formula C18H37N and a molecular weight of 267.50 g/mol. Its IUPAC name is 4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine
PubChem CID167107327
Molecular FormulaC18H37N
Molecular Weight267.50 g/mol
Exact Mass267.29
IUPAC Name4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine
SMILESCCC(C)CCC(C)CC1CCN(CC(C)C)CC1
InChIInChI=1S/C18H37N/c1-6-16(4)7-8-17(5)13-18-9-11-19(12-10-18)14-15(2)3/h15-18H,6-14H2,1-5H3
InChIKeyXAKFPIKIFUZONG-UHFFFAOYSA-N
XLogP5.21
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500267.50
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2-methylbutyl)-4-(3-methylpentyl)piperidine
CID 166678927
1-(2-methylbutyl)-4-[[1-(2-methylpropyl)piperidin-4-yl]oxymethyl]piperidine
CID 163400543
1-(2-methylpropyl)-4-[4-(2-methylpropyl)piperidin-1-yl]piperidine
CID 177321679
4-(1-bromoethyl)-1-(2-methylbutyl)piperidine
CID 106838267
3-(2-methylpentyl)-1-propylpyrrolidine
CID 123729662
4-(2-methylprop-2-enyl)-1-(2-methylpropyl)piperidine
CID 126612510
3-(2-methylbutyl)-9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 156860444
4-methoxy-1-(2-methylpropyl)piperidine;2-methylpropylcyclobutane
CID 163401563
1-cyclopentyl-2-[1-(2-methylpropyl)pyrrolidin-3-yl]ethanamine
CID 83981088
(3S)-3-(methoxymethyl)-1-(2-methylpropyl)pyrrolidine
CID 89358409
1-(2-methylbutyl)azocan-5-amine
CID 138578354
3-(1-ethylpiperidin-4-yl)-2-methylpropan-1-ol
CID 83983052

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine?
The IUPAC name of 4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine (CID 167107327) is 4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine.
What is the SMILES notation for 4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine?
The canonical SMILES for 4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine is CCC(C)CCC(C)CC1CCN(CC(C)C)CC1.
What is the InChIKey of 4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine?
The InChIKey is XAKFPIKIFUZONG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N/c1-6-16(4)7-8-17(5)13-18-9-11-19(12-10-18)14-15(2)3/h15-18H,6-14H2,1-5H3.
What are the key properties of 4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine?
4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine has a molecular weight of 267.50 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine is sourced from PubChem (CID 167107327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).