N,N-dimethyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-amine

C21H31N3 — CID 23470496

IUPACN,N-dimethyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-amine
SMILESCN(C)C1CCc2c(c3ccccc3n2CCN2CCCCC2)C1
InChIInChI=1S/C21H31N3/c1-22(2)17-10-11-21-19(16-17)18-8-4-5-9-20(18)24(21)15-14-23-12-6-3-7-13-23/h4-5,8-9,17H,3,6-7,10-16H2,1-2H3
InChIKeyJCJUOGZARDNDAY-UHFFFAOYSA-N
MW325.50 g/mol
LogP3.55
Rot. Bonds4

About N,N-dimethyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-amine

N,N-dimethyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-amine (PubChem CID 23470496) has the molecular formula C21H31N3 and a molecular weight of 325.50 g/mol. Its IUPAC name is N,N-dimethyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-amine.

Molecular Properties

Compound NameN,N-dimethyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-amine
PubChem CID23470496
Molecular FormulaC21H31N3
Molecular Weight325.50 g/mol
Exact Mass325.25
IUPAC NameN,N-dimethyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-amine
SMILESCN(C)C1CCc2c(c3ccccc3n2CCN2CCCCC2)C1
InChIInChI=1S/C21H31N3/c1-22(2)17-10-11-21-19(16-17)18-8-4-5-9-20(18)24(21)15-14-23-12-6-3-7-13-23/h4-5,8-9,17H,3,6-7,10-16H2,1-2H3
InChIKeyJCJUOGZARDNDAY-UHFFFAOYSA-N
XLogP3.55
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.50
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-amine?
The IUPAC name of N,N-dimethyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-amine (CID 23470496) is N,N-dimethyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-amine.
What is the SMILES notation for N,N-dimethyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-amine?
The canonical SMILES for N,N-dimethyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-amine is CN(C)C1CCc2c(c3ccccc3n2CCN2CCCCC2)C1.
What is the InChIKey of N,N-dimethyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-amine?
The InChIKey is JCJUOGZARDNDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N3/c1-22(2)17-10-11-21-19(16-17)18-8-4-5-9-20(18)24(21)15-14-23-12-6-3-7-13-23/h4-5,8-9,17H,3,6-7,10-16H2,1-2H3.
What are the key properties of N,N-dimethyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-amine?
N,N-dimethyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-amine has a molecular weight of 325.50 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-9-(2-piperidin-1-ylethyl)-1,2,3,4-tetrahydrocarbazol-3-amine is sourced from PubChem (CID 23470496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).