4-(piperidin-3-ylmethyl)-1H-indole

C14H18N2 — CID 84783545

IUPAC4-(piperidin-3-ylmethyl)-1H-indole
SMILESc1cc(CC2CCCNC2)c2cc[nH]c2c1
InChIInChI=1S/C14H18N2/c1-4-12(9-11-3-2-7-15-10-11)13-6-8-16-14(13)5-1/h1,4-6,8,11,15-16H,2-3,7,9-10H2
InChIKeyZRARHMNOCOAJSC-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.71
Rot. Bonds2

About 4-(piperidin-3-ylmethyl)-1H-indole

4-(piperidin-3-ylmethyl)-1H-indole (PubChem CID 84783545) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 4-(piperidin-3-ylmethyl)-1H-indole.

Molecular Properties

Compound Name4-(piperidin-3-ylmethyl)-1H-indole
PubChem CID84783545
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name4-(piperidin-3-ylmethyl)-1H-indole
SMILESc1cc(CC2CCCNC2)c2cc[nH]c2c1
InChIInChI=1S/C14H18N2/c1-4-12(9-11-3-2-7-15-10-11)13-6-8-16-14(13)5-1/h1,4-6,8,11,15-16H,2-3,7,9-10H2
InChIKeyZRARHMNOCOAJSC-UHFFFAOYSA-N
XLogP2.71
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

4-methoxy-5-(piperidin-3-ylmethyl)-1H-indole
CID 117363152
3-[(2,3-dichlorophenyl)methyl]piperidine
CID 91178565
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
5-(piperidin-3-ylmethyl)quinoline
CID 73439136
5-fluoro-6-(piperidin-3-ylmethyl)-1H-indole
CID 115003350
1-[2-methoxy-3-(piperidin-3-ylmethyl)phenyl]-N,N-dimethylmethanamine
CID 117411138
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
7-(pyrrolidin-3-ylmethyl)-1H-indole
CID 84775916
3-[[2-methoxy-3-(trifluoromethyl)phenyl]methyl]piperidine
CID 84810047
3-[[3-methoxy-2-(oxetan-3-yloxy)phenyl]methyl]piperidine
CID 117444661
3-[(2-methyl-3,4-dihydro-2H-chromen-8-yl)methyl]piperidine
CID 117366081

Frequently Asked Questions

What is the IUPAC name of 4-(piperidin-3-ylmethyl)-1H-indole?
The IUPAC name of 4-(piperidin-3-ylmethyl)-1H-indole (CID 84783545) is 4-(piperidin-3-ylmethyl)-1H-indole.
What is the SMILES notation for 4-(piperidin-3-ylmethyl)-1H-indole?
The canonical SMILES for 4-(piperidin-3-ylmethyl)-1H-indole is c1cc(CC2CCCNC2)c2cc[nH]c2c1.
What is the InChIKey of 4-(piperidin-3-ylmethyl)-1H-indole?
The InChIKey is ZRARHMNOCOAJSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-4-12(9-11-3-2-7-15-10-11)13-6-8-16-14(13)5-1/h1,4-6,8,11,15-16H,2-3,7,9-10H2.
What are the key properties of 4-(piperidin-3-ylmethyl)-1H-indole?
4-(piperidin-3-ylmethyl)-1H-indole has a molecular weight of 214.31 g/mol, XLogP of 2.71, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(piperidin-3-ylmethyl)-1H-indole is sourced from PubChem (CID 84783545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).