1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-1,4-diazepane

C14H29N3 — CID 107165073

IUPAC1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-1,4-diazepane
SMILESCC1CCN(CC2(C)CCN(C)CC2)CCN1
InChIInChI=1S/C14H29N3/c1-13-4-8-17(11-7-15-13)12-14(2)5-9-16(3)10-6-14/h13,15H,4-12H2,1-3H3
InChIKeyFORQOXWJRHHOEU-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds2

About 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-1,4-diazepane

1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-1,4-diazepane (PubChem CID 107165073) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-1,4-diazepane
PubChem CID107165073
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-1,4-diazepane
SMILESCC1CCN(CC2(C)CCN(C)CC2)CCN1
InChIInChI=1S/C14H29N3/c1-13-4-8-17(11-7-15-13)12-14(2)5-9-16(3)10-6-14/h13,15H,4-12H2,1-3H3
InChIKeyFORQOXWJRHHOEU-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

1-[(1,4-dimethylpiperidin-4-yl)methyl]-1,4-diazepane
CID 107165077
(5S)-1,5-dimethyl-1,4-diazepane
CID 93492381
1-[(1,4-dimethylpiperidin-4-yl)methyl]-N-propylpiperidin-4-amine
CID 107164155
3-methyl-1-[(4-methyl-1-propan-2-ylpiperidin-4-yl)methyl]piperazine
CID 134505388
5-methyl-1-(2-piperidin-1-ylethyl)-1,4-diazepane
CID 82242425
4-ethyl-6-methyl-1-[(1-methylcyclopentyl)methyl]-1,5-diazocane
CID 55261020
1-[2-(1,3-dimethylpyrrolidin-3-yl)ethyl]-4-methylpiperidine
CID 162741640
3-methyl-1-[(3-methyloxolan-3-yl)methyl]piperazine
CID 130854730
1-[(1-methylcyclobutyl)methyl]-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120835043
4,4-dimethyl-1-[(4-methylpiperidin-4-yl)methyl]piperidine
CID 63123190
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-pyrrolidin-2-ylmethanamine
CID 107163245
5-methyl-1-(5,5,5-trifluoropentyl)-1,4-diazepane
CID 115521969

Frequently Asked Questions

What is the IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-1,4-diazepane?
The IUPAC name of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-1,4-diazepane (CID 107165073) is 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-1,4-diazepane.
What is the SMILES notation for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-1,4-diazepane?
The canonical SMILES for 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-1,4-diazepane is CC1CCN(CC2(C)CCN(C)CC2)CCN1.
What is the InChIKey of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-1,4-diazepane?
The InChIKey is FORQOXWJRHHOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-13-4-8-17(11-7-15-13)12-14(2)5-9-16(3)10-6-14/h13,15H,4-12H2,1-3H3.
What are the key properties of 1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-1,4-diazepane?
1-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-1,4-diazepane 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-[(1,4-dimethylpiperidin-4-yl)methyl]-5-methyl-1,4-diazepane is sourced from PubChem (CID 107165073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).