1-methylphosphanyl-3-(1-methylpiperidin-4-yl)indol-6-amine

C15H22N3P — CID 138711170

IUPAC1-methylphosphanyl-3-(1-methylpiperidin-4-yl)indol-6-amine
SMILESCPn1cc(C2CCN(C)CC2)c2ccc(N)cc21
InChIInChI=1S/C15H22N3P/c1-17-7-5-11(6-8-17)14-10-18(19-2)15-9-12(16)3-4-13(14)15/h3-4,9-11,19H,5-8,16H2,1-2H3
InChIKeyBCDPEWWYVVWLRM-UHFFFAOYSA-N
MW275.34 g/mol
LogP3.10
Rot. Bonds2

About 1-methylphosphanyl-3-(1-methylpiperidin-4-yl)indol-6-amine

1-methylphosphanyl-3-(1-methylpiperidin-4-yl)indol-6-amine (PubChem CID 138711170) has the molecular formula C15H22N3P and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-methylphosphanyl-3-(1-methylpiperidin-4-yl)indol-6-amine.

Molecular Properties

Compound Name1-methylphosphanyl-3-(1-methylpiperidin-4-yl)indol-6-amine
PubChem CID138711170
Molecular FormulaC15H22N3P
Molecular Weight275.34 g/mol
Exact Mass275.16
IUPAC Name1-methylphosphanyl-3-(1-methylpiperidin-4-yl)indol-6-amine
SMILESCPn1cc(C2CCN(C)CC2)c2ccc(N)cc21
InChIInChI=1S/C15H22N3P/c1-17-7-5-11(6-8-17)14-10-18(19-2)15-9-12(16)3-4-13(14)15/h3-4,9-11,19H,5-8,16H2,1-2H3
InChIKeyBCDPEWWYVVWLRM-UHFFFAOYSA-N
XLogP3.10
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phosphor', 'substructure': 'N/A'}

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Related Compounds

N,N-Dimethyltryptamine
CID 6089
Gramine
CID 6890
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Latrepirdine
CID 197033
N,N-Diethyltryptamine
CID 6090
1H-Indol-3-Ylmethanamine
CID 472107
5-Aminoquinoline
CID 11911
Besipirdine
CID 60691
1-Methyl-1H-indole-3-ethylamine
CID 23492
Indole, 3-((4-methylpiperidino)methyl)-
CID 30438

Frequently Asked Questions

What is the IUPAC name of 1-methylphosphanyl-3-(1-methylpiperidin-4-yl)indol-6-amine?
The IUPAC name of 1-methylphosphanyl-3-(1-methylpiperidin-4-yl)indol-6-amine (CID 138711170) is 1-methylphosphanyl-3-(1-methylpiperidin-4-yl)indol-6-amine.
What is the SMILES notation for 1-methylphosphanyl-3-(1-methylpiperidin-4-yl)indol-6-amine?
The canonical SMILES for 1-methylphosphanyl-3-(1-methylpiperidin-4-yl)indol-6-amine is CPn1cc(C2CCN(C)CC2)c2ccc(N)cc21.
What is the InChIKey of 1-methylphosphanyl-3-(1-methylpiperidin-4-yl)indol-6-amine?
The InChIKey is BCDPEWWYVVWLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N3P/c1-17-7-5-11(6-8-17)14-10-18(19-2)15-9-12(16)3-4-13(14)15/h3-4,9-11,19H,5-8,16H2,1-2H3.
What are the key properties of 1-methylphosphanyl-3-(1-methylpiperidin-4-yl)indol-6-amine?
1-methylphosphanyl-3-(1-methylpiperidin-4-yl)indol-6-amine has a molecular weight of 275.34 g/mol, XLogP of 3.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylphosphanyl-3-(1-methylpiperidin-4-yl)indol-6-amine is sourced from PubChem (CID 138711170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).