1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane

C17H34N4 — CID 82565018

IUPAC1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane
SMILESC1CCCN(CC2CCNCC2N2CCCNCC2)CC1
InChIInChI=1S/C17H34N4/c1-2-4-11-20(10-3-1)15-16-6-8-19-14-17(16)21-12-5-7-18-9-13-21/h16-19H,1-15H2
InChIKeyZDJOXPYVXZPHQL-UHFFFAOYSA-N
MW294.49 g/mol
LogP1.14
Rot. Bonds3

About 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane

1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane (PubChem CID 82565018) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane.

Molecular Properties

Compound Name1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane
PubChem CID82565018
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane
SMILESC1CCCN(CC2CCNCC2N2CCCNCC2)CC1
InChIInChI=1S/C17H34N4/c1-2-4-11-20(10-3-1)15-16-6-8-19-14-17(16)21-12-5-7-18-9-13-21/h16-19H,1-15H2
InChIKeyZDJOXPYVXZPHQL-UHFFFAOYSA-N
XLogP1.14
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]azepane
CID 82564798
N-[[3-(1,4-diazepan-1-yl)piperidin-4-yl]methyl]-N-methylcyclohexanamine
CID 82565022
2-methyl-1-[(3-pyrrolidin-1-ylpiperidin-4-yl)methyl]piperidine
CID 82564799
tert-butyl 4-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperazine-1-carboxylate
CID 82565214
1-[3-(azepan-1-yl)piperidin-4-yl]-N,N-dimethylmethanamine
CID 82564930
2-ethyl-1-[4-(piperidin-1-ylmethyl)piperidin-3-yl]piperidine
CID 82565054
1-[4-[(2-ethylpiperidin-1-yl)methyl]piperidin-3-yl]azepane
CID 82564943
4-(azepan-1-ylmethyl)-N,N-dimethylpiperidin-3-amine
CID 82564778
2-[4-[[3-(4-methylpiperidin-1-yl)piperidin-4-yl]methyl]piperazin-1-yl]ethanol
CID 82564927
1-[[(3R)-pyrrolidin-3-yl]methyl]piperidine
CID 86311653
1-[[(3R)-pyrrolidin-3-yl]methyl]pyrrolidine
CID 58880458
1-[(2-methylpyrrolidin-3-yl)methyl]azocane
CID 79385329

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane?
The IUPAC name of 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane (CID 82565018) is 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane.
What is the SMILES notation for 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane?
The canonical SMILES for 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane is C1CCCN(CC2CCNCC2N2CCCNCC2)CC1.
What is the InChIKey of 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane?
The InChIKey is ZDJOXPYVXZPHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N4/c1-2-4-11-20(10-3-1)15-16-6-8-19-14-17(16)21-12-5-7-18-9-13-21/h16-19H,1-15H2.
What are the key properties of 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane?
1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane has a molecular weight of 294.49 g/mol, XLogP of 1.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azepan-1-ylmethyl)piperidin-3-yl]-1,4-diazepane is sourced from PubChem (CID 82565018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).