1-methyl-4-piperazin-1-yl-4-propan-2-ylazepane

C14H29N3 — CID 142267205

IUPAC1-methyl-4-piperazin-1-yl-4-propan-2-ylazepane
SMILESCC(C)C1(N2CCNCC2)CCCN(C)CC1
InChIInChI=1S/C14H29N3/c1-13(2)14(17-11-7-15-8-12-17)5-4-9-16(3)10-6-14/h13,15H,4-12H2,1-3H3
InChIKeyVJMZJUFLTKVEMB-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds2

About 1-methyl-4-piperazin-1-yl-4-propan-2-ylazepane

1-methyl-4-piperazin-1-yl-4-propan-2-ylazepane (PubChem CID 142267205) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-methyl-4-piperazin-1-yl-4-propan-2-ylazepane.

Molecular Properties

Compound Name1-methyl-4-piperazin-1-yl-4-propan-2-ylazepane
PubChem CID142267205
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-methyl-4-piperazin-1-yl-4-propan-2-ylazepane
SMILESCC(C)C1(N2CCNCC2)CCCN(C)CC1
InChIInChI=1S/C14H29N3/c1-13(2)14(17-11-7-15-8-12-17)5-4-9-16(3)10-6-14/h13,15H,4-12H2,1-3H3
InChIKeyVJMZJUFLTKVEMB-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.41
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1,4-Dimethylpiperazin-2-yl)-3-methylpentan-1-amine
CID 3052885
4-[(4-Methylpiperidino)methyl]azepane
CID 86820456
1-((Piperidin-3-yl)methyl)azepane
CID 16768018
N,1-dimethyl-3-(propan-2-yl)piperidin-4-amine
CID 146050352
2-[(4-Methylpiperidin-1-yl)methyl]azepane
CID 17389613
4-Amino-tetramethylpiperidine
CID 18424017
2-[(3-Methylpiperidin-1-yl)methyl]azepane
CID 17389963
3,7,11-Triazaspiro[5,6]dodecane
CID 129790956
4-(aminomethyl)-N-(2,2,2-trifluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365225
4-(aminomethyl)-N-(2,2-difluoroethyl)-1-azabicyclo[3.2.1]octan-4-amine
CID 105365263
6-Ethyl-8-fluoro-8-methyl-3,6-diazabicyclo[3.2.1]octane
CID 105435253
8-Fluoro-8-methyl-6-propan-2-yl-3,6-diazabicyclo[3.2.1]octane
CID 105442285

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-piperazin-1-yl-4-propan-2-ylazepane?
The IUPAC name of 1-methyl-4-piperazin-1-yl-4-propan-2-ylazepane (CID 142267205) is 1-methyl-4-piperazin-1-yl-4-propan-2-ylazepane.
What is the SMILES notation for 1-methyl-4-piperazin-1-yl-4-propan-2-ylazepane?
The canonical SMILES for 1-methyl-4-piperazin-1-yl-4-propan-2-ylazepane is CC(C)C1(N2CCNCC2)CCCN(C)CC1.
What is the InChIKey of 1-methyl-4-piperazin-1-yl-4-propan-2-ylazepane?
The InChIKey is VJMZJUFLTKVEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-13(2)14(17-11-7-15-8-12-17)5-4-9-16(3)10-6-14/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-methyl-4-piperazin-1-yl-4-propan-2-ylazepane?
1-methyl-4-piperazin-1-yl-4-propan-2-ylazepane has a molecular weight of 239.41 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-piperazin-1-yl-4-propan-2-ylazepane is sourced from PubChem (CID 142267205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).