1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane

C13H27N3 — CID 62357709

IUPAC1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane
SMILESCN1CCCN(CCC2CCCNC2)CC1
InChIInChI=1S/C13H27N3/c1-15-7-3-8-16(11-10-15)9-5-13-4-2-6-14-12-13/h13-14H,2-12H2,1H3
InChIKeyKYWJTCUABCJGMW-UHFFFAOYSA-N
MW225.38 g/mol
LogP1.01
Rot. Bonds3

About 1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane

1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane (PubChem CID 62357709) has the molecular formula C13H27N3 and a molecular weight of 225.38 g/mol. Its IUPAC name is 1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane.

Molecular Properties

Compound Name1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane
PubChem CID62357709
Molecular FormulaC13H27N3
Molecular Weight225.38 g/mol
Exact Mass225.22
IUPAC Name1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane
SMILESCN1CCCN(CCC2CCCNC2)CC1
InChIInChI=1S/C13H27N3/c1-15-7-3-8-16(11-10-15)9-5-13-4-2-6-14-12-13/h13-14H,2-12H2,1H3
InChIKeyKYWJTCUABCJGMW-UHFFFAOYSA-N
XLogP1.01
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2-piperidin-3-ylethyl)piperazin-1-yl]ethanol
CID 53408974
4-methyl-1-(2-piperidin-3-ylethyl)azepane
CID 63622050
4-(2-piperidin-3-ylethyl)-1,4-thiazinane 1,1-dioxide
CID 62356507
1-cyclopentyl-4-(2-piperidin-3-ylethyl)piperazine
CID 55091230
1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride
CID 56831674
N-ethyl-2-(4-methylpiperazin-1-yl)-N-(piperidin-3-ylmethyl)ethanamine
CID 106638421
3-(2-piperidin-3-ylethyl)-3-azaspiro[5.5]undecane
CID 62937065
1-(4-fluorophenyl)-4-(2-piperidin-3-ylethyl)piperazine
CID 62356339
3-[2-(2-pyrrolidin-1-ylethoxy)ethyl]piperidine
CID 62356152
(3S)-1-[2-[(3S)-piperidin-3-yl]ethyl]pyrrolidin-3-ol
CID 86323422
N-[[1-(2-piperidin-3-ylethyl)piperidin-4-yl]methyl]acetamide
CID 102736376
2-(2-piperidin-3-ylethyl)-1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazine
CID 79932356

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane?
The IUPAC name of 1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane (CID 62357709) is 1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane.
What is the SMILES notation for 1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane?
The canonical SMILES for 1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane is CN1CCCN(CCC2CCCNC2)CC1.
What is the InChIKey of 1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane?
The InChIKey is KYWJTCUABCJGMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N3/c1-15-7-3-8-16(11-10-15)9-5-13-4-2-6-14-12-13/h13-14H,2-12H2,1H3.
What are the key properties of 1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane?
1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane has a molecular weight of 225.38 g/mol, XLogP of 1.01, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(2-piperidin-3-ylethyl)-1,4-diazepane is sourced from PubChem (CID 62357709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).