N-(1-benzylpiperidin-4-yl)-2,3-dimethyl-1H-indol-7-amine

C22H27N3 — CID 68812331

IUPACN-(1-benzylpiperidin-4-yl)-2,3-dimethyl-1H-indol-7-amine
SMILESCc1[nH]c2c(NC3CCN(Cc4ccccc4)CC3)cccc2c1C
InChIInChI=1S/C22H27N3/c1-16-17(2)23-22-20(16)9-6-10-21(22)24-19-11-13-25(14-12-19)15-18-7-4-3-5-8-18/h3-10,19,23-24H,11-15H2,1-2H3
InChIKeyZGAMNEGOOSBZNP-UHFFFAOYSA-N
MW333.48 g/mol
LogP4.86
Rot. Bonds4

About N-(1-benzylpiperidin-4-yl)-2,3-dimethyl-1H-indol-7-amine

N-(1-benzylpiperidin-4-yl)-2,3-dimethyl-1H-indol-7-amine (PubChem CID 68812331) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2,3-dimethyl-1H-indol-7-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-2,3-dimethyl-1H-indol-7-amine
PubChem CID68812331
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC NameN-(1-benzylpiperidin-4-yl)-2,3-dimethyl-1H-indol-7-amine
SMILESCc1[nH]c2c(NC3CCN(Cc4ccccc4)CC3)cccc2c1C
InChIInChI=1S/C22H27N3/c1-16-17(2)23-22-20(16)9-6-10-21(22)24-19-11-13-25(14-12-19)15-18-7-4-3-5-8-18/h3-10,19,23-24H,11-15H2,1-2H3
InChIKeyZGAMNEGOOSBZNP-UHFFFAOYSA-N
XLogP4.86
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 54.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-N-methylpiperidin-4-amine
CID 4136128
N-(1-benzylpiperidin-4-yl)-1H-indol-2-amine
CID 141333919
1-benzyl-N-(5-chloro-2-ethoxyphenyl)piperidin-4-amine
CID 113232473
1-[2-[(1-benzylpiperidin-4-yl)amino]anilino]-3-chloropropan-2-ol
CID 168639852
2-[(1-benzylpiperidin-4-yl)amino]-4-methyl-1H-pyrimidin-6-one
CID 135719651
3-(1-benzylpiperidin-4-yl)sulfanyl-2,5-dimethyl-1H-indole
CID 15229270
N-(3-chloro-2-methylphenyl)-1-[(4-ethoxyphenyl)methyl]piperidin-4-amine
CID 3587375
2-N-(1-benzylpiperidin-4-yl)-4-chlorobenzene-1,2-diamine
CID 22922520
3-(1-benzylpiperidin-4-yl)sulfanyl-2,5-dimethyl-1H-indole;hydrochloride
CID 19936613
5-N-(1-benzylpiperidin-4-yl)isoquinoline-5,8-diamine
CID 113223215
N-(3-chloro-2-methylphenyl)-1-[[2-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 3931119
1-N-(1-benzylpiperidin-4-yl)-4-N,4-N-dimethylbenzene-1,4-diamine
CID 90316616

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2,3-dimethyl-1H-indol-7-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-2,3-dimethyl-1H-indol-7-amine (CID 68812331) is N-(1-benzylpiperidin-4-yl)-2,3-dimethyl-1H-indol-7-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2,3-dimethyl-1H-indol-7-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2,3-dimethyl-1H-indol-7-amine is Cc1[nH]c2c(NC3CCN(Cc4ccccc4)CC3)cccc2c1C.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2,3-dimethyl-1H-indol-7-amine?
The InChIKey is ZGAMNEGOOSBZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c1-16-17(2)23-22-20(16)9-6-10-21(22)24-19-11-13-25(14-12-19)15-18-7-4-3-5-8-18/h3-10,19,23-24H,11-15H2,1-2H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-2,3-dimethyl-1H-indol-7-amine?
N-(1-benzylpiperidin-4-yl)-2,3-dimethyl-1H-indol-7-amine has a molecular weight of 333.48 g/mol, XLogP of 4.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-2,3-dimethyl-1H-indol-7-amine is sourced from PubChem (CID 68812331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).