1-[3-(azepan-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine

C14H29N3 — CID 82564930

IUPAC1-[3-(azepan-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCNCC1N1CCCCCC1
InChIInChI=1S/C14H29N3/c1-16(2)12-13-7-8-15-11-14(13)17-9-5-3-4-6-10-17/h13-15H,3-12H2,1-2H3
InChIKeyHPRFEKOYGPDKDB-UHFFFAOYSA-N
MW239.41 g/mol
LogP1.40
Rot. Bonds3

About 1-[3-(azepan-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine

1-[3-(azepan-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 82564930) has the molecular formula C14H29N3 and a molecular weight of 239.41 g/mol. Its IUPAC name is 1-[3-(azepan-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[3-(azepan-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID82564930
Molecular FormulaC14H29N3
Molecular Weight239.41 g/mol
Exact Mass239.24
IUPAC Name1-[3-(azepan-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCNCC1N1CCCCCC1
InChIInChI=1S/C14H29N3/c1-16(2)12-13-7-8-15-11-14(13)17-9-5-3-4-6-10-17/h13-15H,3-12H2,1-2H3
InChIKeyHPRFEKOYGPDKDB-UHFFFAOYSA-N
XLogP1.40
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
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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Frequently Asked Questions

What is the IUPAC name of 1-[3-(azepan-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[3-(azepan-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine (CID 82564930) is 1-[3-(azepan-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[3-(azepan-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[3-(azepan-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCNCC1N1CCCCCC1.
What is the InChIKey of 1-[3-(azepan-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is HPRFEKOYGPDKDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N3/c1-16(2)12-13-7-8-15-11-14(13)17-9-5-3-4-6-10-17/h13-15H,3-12H2,1-2H3.
What are the key properties of 1-[3-(azepan-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine?
1-[3-(azepan-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 239.41 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(azepan-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 82564930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).