4-methyl-1-piperidin-4-ylazepane

C12H24N2 — CID 63624273

IUPAC4-methyl-1-piperidin-4-ylazepane
SMILESCC1CCCN(C2CCNCC2)CC1
InChIInChI=1S/C12H24N2/c1-11-3-2-9-14(10-6-11)12-4-7-13-8-5-12/h11-13H,2-10H2,1H3
InChIKeyQRMOIOGZXWHOHK-UHFFFAOYSA-N
MW196.34 g/mol
LogP1.86
Rot. Bonds1

About 4-methyl-1-piperidin-4-ylazepane

4-methyl-1-piperidin-4-ylazepane (PubChem CID 63624273) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 4-methyl-1-piperidin-4-ylazepane.

Molecular Properties

Compound Name4-methyl-1-piperidin-4-ylazepane
PubChem CID63624273
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name4-methyl-1-piperidin-4-ylazepane
SMILESCC1CCCN(C2CCNCC2)CC1
InChIInChI=1S/C12H24N2/c1-11-3-2-9-14(10-6-11)12-4-7-13-8-5-12/h11-13H,2-10H2,1H3
InChIKeyQRMOIOGZXWHOHK-UHFFFAOYSA-N
XLogP1.86
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-piperidin-4-ylazepane?
The IUPAC name of 4-methyl-1-piperidin-4-ylazepane (CID 63624273) is 4-methyl-1-piperidin-4-ylazepane.
What is the SMILES notation for 4-methyl-1-piperidin-4-ylazepane?
The canonical SMILES for 4-methyl-1-piperidin-4-ylazepane is CC1CCCN(C2CCNCC2)CC1.
What is the InChIKey of 4-methyl-1-piperidin-4-ylazepane?
The InChIKey is QRMOIOGZXWHOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-11-3-2-9-14(10-6-11)12-4-7-13-8-5-12/h11-13H,2-10H2,1H3.
What are the key properties of 4-methyl-1-piperidin-4-ylazepane?
4-methyl-1-piperidin-4-ylazepane has a molecular weight of 196.34 g/mol, XLogP of 1.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-piperidin-4-ylazepane is sourced from PubChem (CID 63624273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).