1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-amine

C17H25N3 — CID 59646642

IUPAC1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-amine
SMILESCC(C)c1cc2c(CN3CCC(N)CC3)cccc2[nH]1
InChIInChI=1S/C17H25N3/c1-12(2)17-10-15-13(4-3-5-16(15)19-17)11-20-8-6-14(18)7-9-20/h3-5,10,12,14,19H,6-9,11,18H2,1-2H3
InChIKeyJMGCPLGANHNUML-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.21
Rot. Bonds3

About 1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-amine

1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-amine (PubChem CID 59646642) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-amine
PubChem CID59646642
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-amine
SMILESCC(C)c1cc2c(CN3CCC(N)CC3)cccc2[nH]1
InChIInChI=1S/C17H25N3/c1-12(2)17-10-15-13(4-3-5-16(15)19-17)11-20-8-6-14(18)7-9-20/h3-5,10,12,14,19H,6-9,11,18H2,1-2H3
InChIKeyJMGCPLGANHNUML-UHFFFAOYSA-N
XLogP3.21
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-(2-propan-2-yl-1H-indol-4-yl)-N-[[2-(pyrrolidin-1-ylmethyl)phenyl]methyl]methanamine
CID 59646674
4-chloro-N-cyclopropyl-N-[1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-yl]benzenesulfonamide
CID 59646702
N'-[(2-propan-2-yl-1H-indol-4-yl)methyl]ethane-1,2-diamine
CID 59646690
1-[(3-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine
CID 167713391
1-[(3-fluoro-2-methylphenyl)methyl]piperidin-4-amine
CID 11368047
1-[(4-methoxynaphthalen-1-yl)methyl]piperidin-4-amine
CID 67702775
1-[(2-methoxyphenyl)methyl]piperidin-4-amine
CID 70277411
(3S)-1-(naphthalen-1-ylmethyl)pyrrolidin-3-amine
CID 10680771
4-[(3-methoxypiperidin-1-yl)methyl]-2-methyl-1H-indole
CID 71133239
1-[(3-bromo-2-propan-2-yloxyphenyl)methyl]-4-methoxypiperidine
CID 171396283
4-[1-[(2-methyl-1H-indol-4-yl)methyl]piperidin-4-yl]-1,4-diazepan-2-one
CID 71137776
1-[(2,2-dimethyl-3H-1-benzofuran-7-yl)methyl]piperidin-4-amine
CID 64509514

Frequently Asked Questions

What is the IUPAC name of 1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-amine?
The IUPAC name of 1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-amine (CID 59646642) is 1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-amine.
What is the SMILES notation for 1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-amine?
The canonical SMILES for 1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-amine is CC(C)c1cc2c(CN3CCC(N)CC3)cccc2[nH]1.
What is the InChIKey of 1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-amine?
The InChIKey is JMGCPLGANHNUML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(2)17-10-15-13(4-3-5-16(15)19-17)11-20-8-6-14(18)7-9-20/h3-5,10,12,14,19H,6-9,11,18H2,1-2H3.
What are the key properties of 1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-amine?
1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-amine has a molecular weight of 271.41 g/mol, XLogP of 3.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-propan-2-yl-1H-indol-4-yl)methyl]piperidin-4-amine is sourced from PubChem (CID 59646642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).