3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine

C19H30N2 — CID 81048505

IUPAC3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine
SMILESCC(CCN1CCc2ccccc2CC1)C1CCCNC1
InChIInChI=1S/C19H30N2/c1-16(19-7-4-11-20-15-19)8-12-21-13-9-17-5-2-3-6-18(17)10-14-21/h2-3,5-6,16,19-20H,4,7-15H2,1H3
InChIKeyABQQUJFDNLRGJO-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.11
Rot. Bonds4

About 3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine

3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine (PubChem CID 81048505) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is 3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine.

Molecular Properties

Compound Name3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine
PubChem CID81048505
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC Name3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine
SMILESCC(CCN1CCc2ccccc2CC1)C1CCCNC1
InChIInChI=1S/C19H30N2/c1-16(19-7-4-11-20-15-19)8-12-21-13-9-17-5-2-3-6-18(17)10-14-21/h2-3,5-6,16,19-20H,4,7-15H2,1H3
InChIKeyABQQUJFDNLRGJO-UHFFFAOYSA-N
XLogP3.11
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperidine
CID 103497377
1-(3-piperidin-3-ylbutyl)-4-propan-2-ylpiperazine
CID 81044402
1-(3-piperidin-3-ylbutyl)-4-(trifluoromethyl)piperidine
CID 81045481
3-(3-piperidin-3-ylbutyl)-3-azaspiro[5.5]undecane
CID 81047442
3-[4-(3,3-dimethylpyrrolidin-1-yl)butan-2-yl]piperidine
CID 81045800
N,N-dimethyl-1-(3-piperidin-3-ylbutyl)piperidin-3-amine
CID 81045799
2-[2-[(3R)-piperidin-3-yl]ethyl]-3,4-dihydro-1H-isoquinoline
CID 86323482
1-(3-piperidin-3-ylbutyl)-3-(trifluoromethyl)piperidine
CID 81045404
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline
CID 24703662
N-methyl-N-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylbutan-1-amine
CID 81045714
1-(3-piperidin-3-ylbutyl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82749743
2-(piperidin-3-ylmethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408753

Frequently Asked Questions

What is the IUPAC name of 3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine?
The IUPAC name of 3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine (CID 81048505) is 3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine.
What is the SMILES notation for 3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine?
The canonical SMILES for 3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine is CC(CCN1CCc2ccccc2CC1)C1CCCNC1.
What is the InChIKey of 3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine?
The InChIKey is ABQQUJFDNLRGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-16(19-7-4-11-20-15-19)8-12-21-13-9-17-5-2-3-6-18(17)10-14-21/h2-3,5-6,16,19-20H,4,7-15H2,1H3.
What are the key properties of 3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine?
3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine has a molecular weight of 286.46 g/mol, XLogP of 3.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-piperidin-3-ylbutyl)-1,2,4,5-tetrahydro-3-benzazepine is sourced from PubChem (CID 81048505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).