11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole

C30H32N2O — CID 57233587

IUPAC11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole
SMILESc1ccc2c(c1)CCc1c-2n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12
InChIInChI=1S/C30H32N2O/c1-6-18-31(19-7-1)20-21-33-25-15-12-23(13-16-25)22-32-29-11-5-4-10-27(29)28-17-14-24-8-2-3-9-26(24)30(28)32/h2-5,8-13,15-16H,1,6-7,14,17-22H2
InChIKeyZYRKEIUGYJMIEW-UHFFFAOYSA-N
MW436.60 g/mol
LogP6.32
Rot. Bonds6

About 11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole

11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole (PubChem CID 57233587) has the molecular formula C30H32N2O and a molecular weight of 436.60 g/mol. Its IUPAC name is 11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole.

Molecular Properties

Compound Name11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole
PubChem CID57233587
Molecular FormulaC30H32N2O
Molecular Weight436.60 g/mol
Exact Mass436.25
IUPAC Name11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole
SMILESc1ccc2c(c1)CCc1c-2n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12
InChIInChI=1S/C30H32N2O/c1-6-18-31(19-7-1)20-21-33-25-15-12-23(13-16-25)22-32-29-11-5-4-10-27(29)28-17-14-24-8-2-3-9-26(24)30(28)32/h2-5,8-13,15-16H,1,6-7,14,17-22H2
InChIKeyZYRKEIUGYJMIEW-UHFFFAOYSA-N
XLogP6.32
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.60
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5H-isothiochromeno[4,3-b]indole
CID 59448249
9-methoxy-12-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-6,7-dihydro-[1]benzothiepino[5,4-b]indole
CID 59676060
4-[4-[3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indol-2-yl]phenyl]phenol
CID 174448613
9-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]pyrido[2,3-b]indole
CID 155678411
3-methyl-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-2-(4-propan-2-yloxyphenyl)indole
CID 91000508
5-methoxy-11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazol-8-ol
CID 18784024
3-chloro-1-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]indole
CID 140981808
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-methylindole
CID 139899858
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-2-(3-fluoro-4-phenylmethoxyphenyl)-3-methylindole
CID 90967728
1-[2-[4-[[2-(4-methoxyphenyl)-3,4-dihydronaphthalen-1-yl]methyl]phenoxy]ethyl]piperidine
CID 23300067
(1Z)-1-[hydroxy-[4-(2-pyrrolidin-1-ylethoxy)phenyl]methylidene]-3,4-dihydronaphthalen-2-one
CID 10270079
1-[[4-[2-(azepan-1-yl)ethoxy]phenyl]methyl]-5-methoxy-2-(4-methoxyphenyl)-3-methylindole;hydrochloride
CID 10302204

Frequently Asked Questions

What is the IUPAC name of 11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole?
The IUPAC name of 11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole (CID 57233587) is 11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole.
What is the SMILES notation for 11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole?
The canonical SMILES for 11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole is c1ccc2c(c1)CCc1c-2n(Cc2ccc(OCCN3CCCCC3)cc2)c2ccccc12.
What is the InChIKey of 11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole?
The InChIKey is ZYRKEIUGYJMIEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N2O/c1-6-18-31(19-7-1)20-21-33-25-15-12-23(13-16-25)22-32-29-11-5-4-10-27(29)28-17-14-24-8-2-3-9-26(24)30(28)32/h2-5,8-13,15-16H,1,6-7,14,17-22H2.
What are the key properties of 11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole?
11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole has a molecular weight of 436.60 g/mol, XLogP of 6.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 11-[[4-(2-piperidin-1-ylethoxy)phenyl]methyl]-5,6-dihydrobenzo[a]carbazole is sourced from PubChem (CID 57233587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).