11-amino-2-[2-(1-benzylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-cyclohepta[b]quinolin-1-ol

C28H33N3O — CID 135800046

IUPAC11-amino-2-[2-(1-benzylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-cyclohepta[b]quinolin-1-ol
SMILESNc1c2c(nc3c1=C(O)C(CCC1CCN(Cc4ccccc4)CC1)CC3)=CC=CC=C2
InChIInChI=1S/C28H33N3O/c29-27-23-9-5-2-6-10-24(23)30-25-14-13-22(28(32)26(25)27)12-11-20-15-17-31(18-16-20)19-21-7-3-1-4-8-21/h1-10,20,22,32H,11-19,29H2
InChIKeyFLXXQTRQDIKHDG-UHFFFAOYSA-N
MW427.59 g/mol
LogP3.95
Rot. Bonds5

About 11-amino-2-[2-(1-benzylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-cyclohepta[b]quinolin-1-ol

11-amino-2-[2-(1-benzylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-cyclohepta[b]quinolin-1-ol (PubChem CID 135800046) has the molecular formula C28H33N3O and a molecular weight of 427.59 g/mol. Its IUPAC name is 11-amino-2-[2-(1-benzylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-cyclohepta[b]quinolin-1-ol.

Molecular Properties

Compound Name11-amino-2-[2-(1-benzylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-cyclohepta[b]quinolin-1-ol
PubChem CID135800046
Molecular FormulaC28H33N3O
Molecular Weight427.59 g/mol
Exact Mass427.26
IUPAC Name11-amino-2-[2-(1-benzylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-cyclohepta[b]quinolin-1-ol
SMILESNc1c2c(nc3c1=C(O)C(CCC1CCN(Cc4ccccc4)CC1)CC3)=CC=CC=C2
InChIInChI=1S/C28H33N3O/c29-27-23-9-5-2-6-10-24(23)30-25-14-13-22(28(32)26(25)27)12-11-20-15-17-31(18-16-20)19-21-7-3-1-4-8-21/h1-10,20,22,32H,11-19,29H2
InChIKeyFLXXQTRQDIKHDG-UHFFFAOYSA-N
XLogP3.95
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.59
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 11-amino-2-[2-(1-benzylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-cyclohepta[b]quinolin-1-ol with MolForge

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Related Compounds

2-(1-benzylpiperidin-4-yl)ethanamine;dihydrochloride
CID 17221509
5-(1-benzylpiperidin-4-yl)pentanethioamide
CID 139624929
[2-[2-(1-benzylpiperidin-4-yl)ethyl]-1-oxo-3,4-dihydro-2H-acridin-9-yl]-tert-butylcarbamic acid
CID 54534765
1-(1-benzylpiperidin-4-yl)-3-methylbutan-2-amine
CID 83983169
(1-benzylpiperidin-4-yl)methanesulfonic acid
CID 150183274
(1-benzylpiperidin-4-yl)methanethiol
CID 88901626
1-benzyl-4-(2-pyrrolidin-2-ylethyl)piperidine
CID 82667436
4-(1-benzylpiperidin-4-yl)-N'-hydroxybutanimidamide
CID 86750726
1-benzylpiperidine-4-carbothioic S-acid
CID 154705821
3-(1-benzylazepan-4-yl)propanoic acid
CID 82624039
N-benzyl-N-[2-(1-benzylpiperidin-4-yl)ethyl]benzamide
CID 14553502
(1-benzylpiperidin-4-yl)-diphenylmethanamine
CID 154244173

Frequently Asked Questions

What is the IUPAC name of 11-amino-2-[2-(1-benzylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-cyclohepta[b]quinolin-1-ol?
The IUPAC name of 11-amino-2-[2-(1-benzylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-cyclohepta[b]quinolin-1-ol (CID 135800046) is 11-amino-2-[2-(1-benzylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-cyclohepta[b]quinolin-1-ol.
What is the SMILES notation for 11-amino-2-[2-(1-benzylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-cyclohepta[b]quinolin-1-ol?
The canonical SMILES for 11-amino-2-[2-(1-benzylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-cyclohepta[b]quinolin-1-ol is Nc1c2c(nc3c1=C(O)C(CCC1CCN(Cc4ccccc4)CC1)CC3)=CC=CC=C2.
What is the InChIKey of 11-amino-2-[2-(1-benzylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-cyclohepta[b]quinolin-1-ol?
The InChIKey is FLXXQTRQDIKHDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H33N3O/c29-27-23-9-5-2-6-10-24(23)30-25-14-13-22(28(32)26(25)27)12-11-20-15-17-31(18-16-20)19-21-7-3-1-4-8-21/h1-10,20,22,32H,11-19,29H2.
What are the key properties of 11-amino-2-[2-(1-benzylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-cyclohepta[b]quinolin-1-ol?
11-amino-2-[2-(1-benzylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-cyclohepta[b]quinolin-1-ol has a molecular weight of 427.59 g/mol, XLogP of 3.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 11-amino-2-[2-(1-benzylpiperidin-4-yl)ethyl]-3,4-dihydro-2H-cyclohepta[b]quinolin-1-ol is sourced from PubChem (CID 135800046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).