3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane

C14H27N3 — CID 64944124

IUPAC3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane
SMILESCN1CCC(N2CCCNC(C3CC3)C2)CC1
InChIInChI=1S/C14H27N3/c1-16-9-5-13(6-10-16)17-8-2-7-15-14(11-17)12-3-4-12/h12-15H,2-11H2,1H3
InChIKeyMCFWIYVHSSQGBO-UHFFFAOYSA-N
MW237.39 g/mol
LogP1.15
Rot. Bonds2

About 3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane

3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane (PubChem CID 64944124) has the molecular formula C14H27N3 and a molecular weight of 237.39 g/mol. Its IUPAC name is 3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane.

Molecular Properties

Compound Name3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane
PubChem CID64944124
Molecular FormulaC14H27N3
Molecular Weight237.39 g/mol
Exact Mass237.22
IUPAC Name3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane
SMILESCN1CCC(N2CCCNC(C3CC3)C2)CC1
InChIInChI=1S/C14H27N3/c1-16-9-5-13(6-10-16)17-8-2-7-15-14(11-17)12-3-4-12/h12-15H,2-11H2,1H3
InChIKeyMCFWIYVHSSQGBO-UHFFFAOYSA-N
XLogP1.15
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane?
The IUPAC name of 3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane (CID 64944124) is 3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane.
What is the SMILES notation for 3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane?
The canonical SMILES for 3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane is CN1CCC(N2CCCNC(C3CC3)C2)CC1.
What is the InChIKey of 3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane?
The InChIKey is MCFWIYVHSSQGBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3/c1-16-9-5-13(6-10-16)17-8-2-7-15-14(11-17)12-3-4-12/h12-15H,2-11H2,1H3.
What are the key properties of 3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane?
3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane has a molecular weight of 237.39 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(1-methylpiperidin-4-yl)-1,4-diazepane is sourced from PubChem (CID 64944124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).