1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-propyl-1,4-diazepane

C15H32N4 — CID 64951002

IUPAC1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-propyl-1,4-diazepane
SMILESCCCC1CN(CC2CN(C)CCN2C)CCCN1
InChIInChI=1S/C15H32N4/c1-4-6-14-11-19(8-5-7-16-14)13-15-12-17(2)9-10-18(15)3/h14-16H,4-13H2,1-3H3
InChIKeyAGVWEWZBWARNKL-UHFFFAOYSA-N
MW268.45 g/mol
LogP0.70
Rot. Bonds4

About 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-propyl-1,4-diazepane

1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-propyl-1,4-diazepane (PubChem CID 64951002) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-propyl-1,4-diazepane.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-propyl-1,4-diazepane
PubChem CID64951002
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-propyl-1,4-diazepane
SMILESCCCC1CN(CC2CN(C)CCN2C)CCCN1
InChIInChI=1S/C15H32N4/c1-4-6-14-11-19(8-5-7-16-14)13-15-12-17(2)9-10-18(15)3/h14-16H,4-13H2,1-3H3
InChIKeyAGVWEWZBWARNKL-UHFFFAOYSA-N
XLogP0.70
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-dipropyl-1,4-diazepane
CID 64870092
4-methyl-2-[(3-propyl-1,4-diazepan-1-yl)methyl]morpholine
CID 79076925
1-[(1-ethylpiperidin-4-yl)methyl]-3-propyl-1,4-diazepane
CID 64949336
1-[(1-methylsulfonylpiperidin-3-yl)methyl]-3-propyl-1,4-diazepane
CID 79620232
1-(cyclopropylmethyl)-3-ethyl-1,4-diazepane
CID 64872296
1-[(1-methylcyclohexyl)methyl]-3-propyl-1,4-diazepane
CID 114095161
1-(2-propan-2-ylsulfonylethyl)-3-propyl-1,4-diazepane
CID 106733340
1-(cyclobutylmethyl)-3-ethyl-1,4-diazepane
CID 64942557
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propyl-1,4-diazepane
CID 103016702
3-propyl-1-[(2,4,6-trimethylphenyl)methyl]-1,4-diazepane
CID 64869300
N-[(1,4-dimethylpiperazin-2-yl)methyl]-1-piperidin-2-ylmethanamine
CID 106633956
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3,3-diethylpiperazine
CID 64952021

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-propyl-1,4-diazepane?
The IUPAC name of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-propyl-1,4-diazepane (CID 64951002) is 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-propyl-1,4-diazepane.
What is the SMILES notation for 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-propyl-1,4-diazepane?
The canonical SMILES for 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-propyl-1,4-diazepane is CCCC1CN(CC2CN(C)CCN2C)CCCN1.
What is the InChIKey of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-propyl-1,4-diazepane?
The InChIKey is AGVWEWZBWARNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-4-6-14-11-19(8-5-7-16-14)13-15-12-17(2)9-10-18(15)3/h14-16H,4-13H2,1-3H3.
What are the key properties of 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-propyl-1,4-diazepane?
1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-propyl-1,4-diazepane has a molecular weight of 268.45 g/mol, XLogP of 0.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,4-dimethylpiperazin-2-yl)methyl]-3-propyl-1,4-diazepane is sourced from PubChem (CID 64951002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).