4-methyl-1-[(3-propylpiperidin-3-yl)methyl]azepane

C16H32N2 — CID 55247480

IUPAC4-methyl-1-[(3-propylpiperidin-3-yl)methyl]azepane
SMILESCCCC1(CN2CCCC(C)CC2)CCCNC1
InChIInChI=1S/C16H32N2/c1-3-8-16(9-5-10-17-13-16)14-18-11-4-6-15(2)7-12-18/h15,17H,3-14H2,1-2H3
InChIKeyRISZSXUMSQJKFG-UHFFFAOYSA-N
MW252.45 g/mol
LogP3.28
Rot. Bonds4

About 4-methyl-1-[(3-propylpiperidin-3-yl)methyl]azepane

4-methyl-1-[(3-propylpiperidin-3-yl)methyl]azepane (PubChem CID 55247480) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is 4-methyl-1-[(3-propylpiperidin-3-yl)methyl]azepane.

Molecular Properties

Compound Name4-methyl-1-[(3-propylpiperidin-3-yl)methyl]azepane
PubChem CID55247480
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name4-methyl-1-[(3-propylpiperidin-3-yl)methyl]azepane
SMILESCCCC1(CN2CCCC(C)CC2)CCCNC1
InChIInChI=1S/C16H32N2/c1-3-8-16(9-5-10-17-13-16)14-18-11-4-6-15(2)7-12-18/h15,17H,3-14H2,1-2H3
InChIKeyRISZSXUMSQJKFG-UHFFFAOYSA-N
XLogP3.28
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.45
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethyl-4-methyl-1-[(3-propylpiperidin-3-yl)methyl]piperidine
CID 63161703
2-methyl-4-[(3-propylpiperidin-3-yl)methyl]morpholine
CID 63133327
7,7-dimethyl-4-[(3-propylpiperidin-3-yl)methyl]-1,4-thiazepane
CID 107456138
4-piperidin-1-yl-1-[(3-propylpyrrolidin-3-yl)methyl]piperidine
CID 63142981
1-[(3-ethylpiperidin-3-yl)methyl]azocane
CID 55166633
1-cyclopentyl-4-[(3-propylpyrrolidin-3-yl)methyl]piperazine
CID 63142665
N,N,4-trimethyl-1-[(3-propylpiperidin-3-yl)methyl]pyrrolidin-3-amine
CID 81464515
2-[1-[(4-methylazepan-1-yl)methyl]cyclopropyl]ethanamine
CID 65479951
3-(cyclopropylmethyl)-3-(pyrrolidin-1-ylmethyl)piperidine
CID 84687927
1-[(4-ethylpiperidin-4-yl)methyl]-4-methylpiperidine
CID 63129487
N-ethyl-N-[(3-propylpiperidin-3-yl)methyl]cyclopropanamine
CID 63133418
3-ethoxy-1-[(3-ethylpiperidin-3-yl)methyl]piperidine
CID 55167023

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(3-propylpiperidin-3-yl)methyl]azepane?
The IUPAC name of 4-methyl-1-[(3-propylpiperidin-3-yl)methyl]azepane (CID 55247480) is 4-methyl-1-[(3-propylpiperidin-3-yl)methyl]azepane.
What is the SMILES notation for 4-methyl-1-[(3-propylpiperidin-3-yl)methyl]azepane?
The canonical SMILES for 4-methyl-1-[(3-propylpiperidin-3-yl)methyl]azepane is CCCC1(CN2CCCC(C)CC2)CCCNC1.
What is the InChIKey of 4-methyl-1-[(3-propylpiperidin-3-yl)methyl]azepane?
The InChIKey is RISZSXUMSQJKFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2/c1-3-8-16(9-5-10-17-13-16)14-18-11-4-6-15(2)7-12-18/h15,17H,3-14H2,1-2H3.
What are the key properties of 4-methyl-1-[(3-propylpiperidin-3-yl)methyl]azepane?
4-methyl-1-[(3-propylpiperidin-3-yl)methyl]azepane has a molecular weight of 252.45 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(3-propylpiperidin-3-yl)methyl]azepane is sourced from PubChem (CID 55247480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).