4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine

C15H29N3 — CID 71196303

IUPAC4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(N2CCN(CC3CC3)CC2)CC1
InChIInChI=1S/C15H29N3/c1-16-14-4-6-15(7-5-14)18-10-8-17(9-11-18)12-13-2-3-13/h13-16H,2-12H2,1H3
InChIKeyXFHZRRIGTHGKBW-UHFFFAOYSA-N
MW251.42 g/mol
LogP1.54
Rot. Bonds4

About 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine

4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine (PubChem CID 71196303) has the molecular formula C15H29N3 and a molecular weight of 251.42 g/mol. Its IUPAC name is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine
PubChem CID71196303
Molecular FormulaC15H29N3
Molecular Weight251.42 g/mol
Exact Mass251.24
IUPAC Name4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine
SMILESCNC1CCC(N2CCN(CC3CC3)CC2)CC1
InChIInChI=1S/C15H29N3/c1-16-14-4-6-15(7-5-14)18-10-8-17(9-11-18)12-13-2-3-13/h13-16H,2-12H2,1H3
InChIKeyXFHZRRIGTHGKBW-UHFFFAOYSA-N
XLogP1.54
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.42
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine
CID 20761838
3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine
CID 79617933
1-(cyclopropylmethyl)-4-(4-methylcyclohexyl)piperazine;methane
CID 160896318
4-[4-[(4-tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]-N-methylcyclohexan-1-amine
CID 167091256
3-[4-(cyclopropylmethyl)piperazin-1-yl]-N-propylcyclopentan-1-amine
CID 79643309
1-(cyclopropylmethyl)-4-(oxan-4-yl)piperazine
CID 126851078
4-[4-(cyclopropylmethyl)-1,4-diazepan-1-yl]cyclohexan-1-amine
CID 58153963
1-(4-ethylcyclohexyl)-4-(piperidin-4-ylmethyl)piperazine
CID 177134839
1-methyl-4-[(1-methylpiperidin-4-yl)methyl]piperazine;1-methyl-4-(1-methylpiperidin-4-yl)piperazine
CID 91309276
3-[4-(cyclopropylmethyl)piperazin-1-yl]cyclopentan-1-amine
CID 79469281
1-cyclopropyl-N-methylpiperidin-4-amine;ethane
CID 142484063
1-(3-ethylcyclobutyl)-4-[(4-ethylcyclohexyl)methyl]piperazine
CID 177134711

Frequently Asked Questions

What is the IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine (CID 71196303) is 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine is CNC1CCC(N2CCN(CC3CC3)CC2)CC1.
What is the InChIKey of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine?
The InChIKey is XFHZRRIGTHGKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3/c1-16-14-4-6-15(7-5-14)18-10-8-17(9-11-18)12-13-2-3-13/h13-16H,2-12H2,1H3.
What are the key properties of 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine?
4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine has a molecular weight of 251.42 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(cyclopropylmethyl)piperazin-1-yl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 71196303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).