3,5-dimethyl-1-(4-propylcycloheptyl)piperazine

C16H32N2 — CID 65088741

IUPAC3,5-dimethyl-1-(4-propylcycloheptyl)piperazine
SMILESCCCC1CCCC(N2CC(C)NC(C)C2)CC1
InChIInChI=1S/C16H32N2/c1-4-6-15-7-5-8-16(10-9-15)18-11-13(2)17-14(3)12-18/h13-17H,4-12H2,1-3H3
InChIKeyGKMZCRRBSVHUKB-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.42
Rot. Bonds3

About 3,5-dimethyl-1-(4-propylcycloheptyl)piperazine

3,5-dimethyl-1-(4-propylcycloheptyl)piperazine (PubChem CID 65088741) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 3,5-dimethyl-1-(4-propylcycloheptyl)piperazine.

Molecular Properties

Compound Name3,5-dimethyl-1-(4-propylcycloheptyl)piperazine
PubChem CID65088741
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name3,5-dimethyl-1-(4-propylcycloheptyl)piperazine
SMILESCCCC1CCCC(N2CC(C)NC(C)C2)CC1
InChIInChI=1S/C16H32N2/c1-4-6-15-7-5-8-16(10-9-15)18-11-13(2)17-14(3)12-18/h13-17H,4-12H2,1-3H3
InChIKeyGKMZCRRBSVHUKB-UHFFFAOYSA-N
XLogP3.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R,5R)-1-cyclobutyl-3,5-dimethylpiperazine
CID 166077594
3-methyl-1-(4-propylcyclohexyl)-1,4-diazepane
CID 64944435
[1-(4-propylcycloheptyl)piperidin-4-yl]methanamine
CID 65088785
2-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine
CID 65088885
1-methyl-4-propylcycloheptane
CID 90967653
1-[1-(4-propylcycloheptyl)piperidin-3-yl]ethanamine
CID 65088932
N-(cyclopropylmethyl)-1-(4-propylcycloheptyl)piperidin-4-amine
CID 115306940
1-(4-ethylcycloheptyl)azetidin-3-amine
CID 65244485
1-[2-(2-methylcyclopropyl)ethyl]-4-propylcycloheptane
CID 123786912
3-propyl-1-(4-propylcyclohexyl)piperazine
CID 64926746
1-cyclohexyl-5-propylpiperidin-3-amine
CID 83989283
9-(4-propylcyclohexyl)-9-azabicyclo[3.3.1]nonan-3-amine
CID 55105943

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1-(4-propylcycloheptyl)piperazine?
The IUPAC name of 3,5-dimethyl-1-(4-propylcycloheptyl)piperazine (CID 65088741) is 3,5-dimethyl-1-(4-propylcycloheptyl)piperazine.
What is the SMILES notation for 3,5-dimethyl-1-(4-propylcycloheptyl)piperazine?
The canonical SMILES for 3,5-dimethyl-1-(4-propylcycloheptyl)piperazine is CCCC1CCCC(N2CC(C)NC(C)C2)CC1.
What is the InChIKey of 3,5-dimethyl-1-(4-propylcycloheptyl)piperazine?
The InChIKey is GKMZCRRBSVHUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-4-6-15-7-5-8-16(10-9-15)18-11-13(2)17-14(3)12-18/h13-17H,4-12H2,1-3H3.
What are the key properties of 3,5-dimethyl-1-(4-propylcycloheptyl)piperazine?
3,5-dimethyl-1-(4-propylcycloheptyl)piperazine has a molecular weight of 252.45 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1-(4-propylcycloheptyl)piperazine is sourced from PubChem (CID 65088741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).