1-(4-methylpiperidin-3-yl)-4-propylazepane

C15H30N2 — CID 66273079

IUPAC1-(4-methylpiperidin-3-yl)-4-propylazepane
SMILESCCCC1CCCN(C2CNCCC2C)CC1
InChIInChI=1S/C15H30N2/c1-3-5-14-6-4-10-17(11-8-14)15-12-16-9-7-13(15)2/h13-16H,3-12H2,1-2H3
InChIKeyLWXCYGNFFYDJSC-UHFFFAOYSA-N
MW238.42 g/mol
LogP2.89
Rot. Bonds3

About 1-(4-methylpiperidin-3-yl)-4-propylazepane

1-(4-methylpiperidin-3-yl)-4-propylazepane (PubChem CID 66273079) has the molecular formula C15H30N2 and a molecular weight of 238.42 g/mol. Its IUPAC name is 1-(4-methylpiperidin-3-yl)-4-propylazepane.

Molecular Properties

Compound Name1-(4-methylpiperidin-3-yl)-4-propylazepane
PubChem CID66273079
Molecular FormulaC15H30N2
Molecular Weight238.42 g/mol
Exact Mass238.24
IUPAC Name1-(4-methylpiperidin-3-yl)-4-propylazepane
SMILESCCCC1CCCN(C2CNCCC2C)CC1
InChIInChI=1S/C15H30N2/c1-3-5-14-6-4-10-17(11-8-14)15-12-16-9-7-13(15)2/h13-16H,3-12H2,1-2H3
InChIKeyLWXCYGNFFYDJSC-UHFFFAOYSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.42
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperidin-3-yl)-4-propylazepane?
The IUPAC name of 1-(4-methylpiperidin-3-yl)-4-propylazepane (CID 66273079) is 1-(4-methylpiperidin-3-yl)-4-propylazepane.
What is the SMILES notation for 1-(4-methylpiperidin-3-yl)-4-propylazepane?
The canonical SMILES for 1-(4-methylpiperidin-3-yl)-4-propylazepane is CCCC1CCCN(C2CNCCC2C)CC1.
What is the InChIKey of 1-(4-methylpiperidin-3-yl)-4-propylazepane?
The InChIKey is LWXCYGNFFYDJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2/c1-3-5-14-6-4-10-17(11-8-14)15-12-16-9-7-13(15)2/h13-16H,3-12H2,1-2H3.
What are the key properties of 1-(4-methylpiperidin-3-yl)-4-propylazepane?
1-(4-methylpiperidin-3-yl)-4-propylazepane has a molecular weight of 238.42 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperidin-3-yl)-4-propylazepane is sourced from PubChem (CID 66273079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).