N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine

C16H23N3 — CID 63378381

IUPACN-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CNCc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C16H23N3/c1-19-9-6-13(7-10-19)11-17-12-14-3-2-4-16-15(14)5-8-18-16/h2-5,8,13,17-18H,6-7,9-12H2,1H3
InChIKeyMXABDKGSWJVHCM-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.60
Rot. Bonds4

About N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine

N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine (PubChem CID 63378381) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine.

Molecular Properties

Compound NameN-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
PubChem CID63378381
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC NameN-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine
SMILESCN1CCC(CNCc2cccc3[nH]ccc23)CC1
InChIInChI=1S/C16H23N3/c1-19-9-6-13(7-10-19)11-17-12-14-3-2-4-16-15(14)5-8-18-16/h2-5,8,13,17-18H,6-7,9-12H2,1H3
InChIKeyMXABDKGSWJVHCM-UHFFFAOYSA-N
XLogP2.60
TPSA31.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(1H-indol-4-ylmethylamino)methyl]cyclohexan-1-ol
CID 106125391
N-(1H-indol-4-ylmethyl)-1-(1-phenylpyrrolidin-3-yl)methanamine
CID 119110013
N-(1H-indol-4-ylmethyl)-1-[1-(3-methoxyphenyl)pyrrolidin-3-yl]methanamine
CID 119110654
N-(1H-indol-4-ylmethyl)-2-(4-methylpiperidin-1-yl)ethanamine
CID 63002106
2-(1H-indol-4-yl)-N-(1-methylpiperidin-3-yl)acetamide
CID 100959575
2-fluoro-6-[[(1-methylpiperidin-4-yl)methylamino]methyl]phenol
CID 112606713
N-cyclopropyl-2-(1H-indol-4-ylmethylamino)acetamide
CID 63000574
N-[(2-cyclopropylphenyl)methyl]-1-(1-methylpiperidin-4-yl)methanamine
CID 79889978
[4-(ethylaminomethyl)piperidin-1-yl]-(1H-indol-4-yl)methanone
CID 80550607
2-(1H-indol-4-ylmethylamino)ethanol
CID 53269747
N-(1H-indol-4-ylmethyl)-3-pyrrolidin-1-ylpropan-1-amine
CID 62999922
1-cyclobutyl-N-(1H-indol-3-ylmethyl)methanamine
CID 62332415

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine?
The IUPAC name of N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine (CID 63378381) is N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine.
What is the SMILES notation for N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine?
The canonical SMILES for N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine is CN1CCC(CNCc2cccc3[nH]ccc23)CC1.
What is the InChIKey of N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine?
The InChIKey is MXABDKGSWJVHCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-19-9-6-13(7-10-19)11-17-12-14-3-2-4-16-15(14)5-8-18-16/h2-5,8,13,17-18H,6-7,9-12H2,1H3.
What are the key properties of N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine?
N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine has a molecular weight of 257.38 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-4-ylmethyl)-1-(1-methylpiperidin-4-yl)methanamine is sourced from PubChem (CID 63378381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).