N,N-dimethyl-1-[[1-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)indol-3-yl]methyl]piperidin-4-amine

C28H37N3 — CID 21195947

IUPACN,N-dimethyl-1-[[1-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)indol-3-yl]methyl]piperidin-4-amine
SMILESCN(C)C1CCN(Cc2c(Cc3cccc4c3CCCC4)n(C)c3ccccc23)CC1
InChIInChI=1S/C28H37N3/c1-29(2)23-15-17-31(18-16-23)20-26-25-13-6-7-14-27(25)30(3)28(26)19-22-11-8-10-21-9-4-5-12-24(21)22/h6-8,10-11,13-14,23H,4-5,9,12,15-20H2,1-3H3
InChIKeyMBHIPUSKJWIYIQ-UHFFFAOYSA-N
MW415.63 g/mol
LogP5.17
Rot. Bonds5

About N,N-dimethyl-1-[[1-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)indol-3-yl]methyl]piperidin-4-amine

N,N-dimethyl-1-[[1-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)indol-3-yl]methyl]piperidin-4-amine (PubChem CID 21195947) has the molecular formula C28H37N3 and a molecular weight of 415.63 g/mol. Its IUPAC name is N,N-dimethyl-1-[[1-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)indol-3-yl]methyl]piperidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-1-[[1-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)indol-3-yl]methyl]piperidin-4-amine
PubChem CID21195947
Molecular FormulaC28H37N3
Molecular Weight415.63 g/mol
Exact Mass415.30
IUPAC NameN,N-dimethyl-1-[[1-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)indol-3-yl]methyl]piperidin-4-amine
SMILESCN(C)C1CCN(Cc2c(Cc3cccc4c3CCCC4)n(C)c3ccccc23)CC1
InChIInChI=1S/C28H37N3/c1-29(2)23-15-17-31(18-16-23)20-26-25-13-6-7-14-27(25)30(3)28(26)19-22-11-8-10-21-9-4-5-12-24(21)22/h6-8,10-11,13-14,23H,4-5,9,12,15-20H2,1-3H3
InChIKeyMBHIPUSKJWIYIQ-UHFFFAOYSA-N
XLogP5.17
TPSA11.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.63
LogP ≤ 55.17
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-1-[[1-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)indol-3-yl]methyl]piperidin-4-amine?
The IUPAC name of N,N-dimethyl-1-[[1-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)indol-3-yl]methyl]piperidin-4-amine (CID 21195947) is N,N-dimethyl-1-[[1-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)indol-3-yl]methyl]piperidin-4-amine.
What is the SMILES notation for N,N-dimethyl-1-[[1-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)indol-3-yl]methyl]piperidin-4-amine?
The canonical SMILES for N,N-dimethyl-1-[[1-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)indol-3-yl]methyl]piperidin-4-amine is CN(C)C1CCN(Cc2c(Cc3cccc4c3CCCC4)n(C)c3ccccc23)CC1.
What is the InChIKey of N,N-dimethyl-1-[[1-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)indol-3-yl]methyl]piperidin-4-amine?
The InChIKey is MBHIPUSKJWIYIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N3/c1-29(2)23-15-17-31(18-16-23)20-26-25-13-6-7-14-27(25)30(3)28(26)19-22-11-8-10-21-9-4-5-12-24(21)22/h6-8,10-11,13-14,23H,4-5,9,12,15-20H2,1-3H3.
What are the key properties of N,N-dimethyl-1-[[1-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)indol-3-yl]methyl]piperidin-4-amine?
N,N-dimethyl-1-[[1-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)indol-3-yl]methyl]piperidin-4-amine has a molecular weight of 415.63 g/mol, XLogP of 5.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[[1-methyl-2-(5,6,7,8-tetrahydronaphthalen-1-ylmethyl)indol-3-yl]methyl]piperidin-4-amine is sourced from PubChem (CID 21195947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).