[4-(1H-indol-5-yl)-1-methylpiperidin-3-yl]methanamine

C15H21N3 — CID 82622288

IUPAC[4-(1H-indol-5-yl)-1-methylpiperidin-3-yl]methanamine
SMILESCN1CCC(c2ccc3[nH]ccc3c2)C(CN)C1
InChIInChI=1S/C15H21N3/c1-18-7-5-14(13(9-16)10-18)11-2-3-15-12(8-11)4-6-17-15/h2-4,6,8,13-14,17H,5,7,9-10,16H2,1H3
InChIKeyJKEZHIDMBHRBHE-UHFFFAOYSA-N
MW243.35 g/mol
LogP2.16
Rot. Bonds2

About [4-(1H-indol-5-yl)-1-methylpiperidin-3-yl]methanamine

[4-(1H-indol-5-yl)-1-methylpiperidin-3-yl]methanamine (PubChem CID 82622288) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is [4-(1H-indol-5-yl)-1-methylpiperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-(1H-indol-5-yl)-1-methylpiperidin-3-yl]methanamine
PubChem CID82622288
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name[4-(1H-indol-5-yl)-1-methylpiperidin-3-yl]methanamine
SMILESCN1CCC(c2ccc3[nH]ccc3c2)C(CN)C1
InChIInChI=1S/C15H21N3/c1-18-7-5-14(13(9-16)10-18)11-2-3-15-12(8-11)4-6-17-15/h2-4,6,8,13-14,17H,5,7,9-10,16H2,1H3
InChIKeyJKEZHIDMBHRBHE-UHFFFAOYSA-N
XLogP2.16
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(1,3-benzodioxol-5-yl)-1-methylpiperidin-3-yl]methanamine
CID 82623063
[4-(1H-indol-5-yl)-6-methylpiperidin-3-yl]methanamine
CID 82622283
5-[(2S)-1-methylpiperidin-2-yl]-1H-indole
CID 95732626
3-(1H-indol-5-yl)-N-methyl-N-(1-methylpiperidin-4-yl)propanamide
CID 75444249
5-(4-methylcyclohexyl)-1H-indole
CID 69051193
N-(1H-indol-5-ylmethyl)-4-methylpiperidine-1-sulfonamide
CID 169029487
5-[(2R)-1-propan-2-ylpiperidin-2-yl]-1H-indole
CID 124501023
N-(1H-indol-5-ylmethyl)-1-methyl-N-(pyridin-4-ylmethyl)piperidin-4-amine
CID 56919076
5-[(4-methylpiperidin-1-yl)methyl]-1H-indole
CID 90949338
N-[[2-fluoro-5-(1H-indol-5-yl)phenyl]methyl]-1-methylpiperidin-4-amine
CID 68749600
(4aR,7aS)-4-(1H-indol-5-ylmethyl)-1-propyl-2,3,4a,5,7,7a-hexahydrothieno[3,4-b]pyrazine 6,6-dioxide
CID 70750115
N-(1H-indol-5-ylmethyl)-1-(1-propan-2-ylpyrrolidin-3-yl)methanamine
CID 102910344

Frequently Asked Questions

What is the IUPAC name of [4-(1H-indol-5-yl)-1-methylpiperidin-3-yl]methanamine?
The IUPAC name of [4-(1H-indol-5-yl)-1-methylpiperidin-3-yl]methanamine (CID 82622288) is [4-(1H-indol-5-yl)-1-methylpiperidin-3-yl]methanamine.
What is the SMILES notation for [4-(1H-indol-5-yl)-1-methylpiperidin-3-yl]methanamine?
The canonical SMILES for [4-(1H-indol-5-yl)-1-methylpiperidin-3-yl]methanamine is CN1CCC(c2ccc3[nH]ccc3c2)C(CN)C1.
What is the InChIKey of [4-(1H-indol-5-yl)-1-methylpiperidin-3-yl]methanamine?
The InChIKey is JKEZHIDMBHRBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-18-7-5-14(13(9-16)10-18)11-2-3-15-12(8-11)4-6-17-15/h2-4,6,8,13-14,17H,5,7,9-10,16H2,1H3.
What are the key properties of [4-(1H-indol-5-yl)-1-methylpiperidin-3-yl]methanamine?
[4-(1H-indol-5-yl)-1-methylpiperidin-3-yl]methanamine has a molecular weight of 243.35 g/mol, XLogP of 2.16, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1H-indol-5-yl)-1-methylpiperidin-3-yl]methanamine is sourced from PubChem (CID 82622288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).