2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol

C17H24ClNO — CID 117474191

IUPAC2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
SMILESOc1c(Cl)cc2c(c1CC1CCCNC1)CCCCC2
InChIInChI=1S/C17H24ClNO/c18-16-10-13-6-2-1-3-7-14(13)15(17(16)20)9-12-5-4-8-19-11-12/h10,12,19-20H,1-9,11H2
InChIKeyCPCLJZNWCXQTHW-UHFFFAOYSA-N
MW293.84 g/mol
LogP3.86
Rot. Bonds2

About 2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol

2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol (PubChem CID 117474191) has the molecular formula C17H24ClNO and a molecular weight of 293.84 g/mol. Its IUPAC name is 2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol.

Molecular Properties

Compound Name2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
PubChem CID117474191
Molecular FormulaC17H24ClNO
Molecular Weight293.84 g/mol
Exact Mass293.15
IUPAC Name2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
SMILESOc1c(Cl)cc2c(c1CC1CCCNC1)CCCCC2
InChIInChI=1S/C17H24ClNO/c18-16-10-13-6-2-1-3-7-14(13)15(17(16)20)9-12-5-4-8-19-11-12/h10,12,19-20H,1-9,11H2
InChIKeyCPCLJZNWCXQTHW-UHFFFAOYSA-N
XLogP3.86
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol 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

4-chloro-2-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117474188
3-chloro-5-methyl-2-(piperidin-3-ylmethyl)phenol
CID 84800063
1-chloro-3-piperidin-3-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117418867
4-(3-aminopropyl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117387867
2-chloro-4-(3-hydroxypropyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117390166
4-(2-amino-2-methylpropyl)-2-chloro-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol
CID 117423448
3-chloro-1-piperidin-4-yl-5,6,7,8-tetrahydronaphthalen-2-ol
CID 117418849
2-chloro-4-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84800060
3-chloro-5,6,7,8-tetrahydronaphthalene-1,2-diol
CID 84668554
3-[(4-chloro-2,6-difluorophenyl)methyl]piperidine
CID 84802944
2-chloro-3,5,6-trimethyl-4-(piperidin-3-ylmethyl)phenol
CID 117117999
3-[(6-chloro-2,3-dihydro-1H-inden-4-yl)methyl]pyrrolidine
CID 84797929

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The IUPAC name of 2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol (CID 117474191) is 2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol.
What is the SMILES notation for 2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The canonical SMILES for 2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol is Oc1c(Cl)cc2c(c1CC1CCCNC1)CCCCC2.
What is the InChIKey of 2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
The InChIKey is CPCLJZNWCXQTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24ClNO/c18-16-10-13-6-2-1-3-7-14(13)15(17(16)20)9-12-5-4-8-19-11-12/h10,12,19-20H,1-9,11H2.
What are the key properties of 2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol?
2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol has a molecular weight of 293.84 g/mol, XLogP of 3.86, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(piperidin-3-ylmethyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulen-3-ol is sourced from PubChem (CID 117474191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).