6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole

C18H20N4 — CID 127244845

IUPAC6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole
SMILESc1cc(C2CCCCN2Cc2ccc3cc[nH]c3c2)ncn1
InChIInChI=1S/C18H20N4/c1-2-10-22(18(3-1)16-7-8-19-13-21-16)12-14-4-5-15-6-9-20-17(15)11-14/h4-9,11,13,18,20H,1-3,10,12H2
InChIKeyPOMRNMLUINEGAE-UHFFFAOYSA-N
MW292.39 g/mol
LogP3.69
Rot. Bonds3

About 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole

6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole (PubChem CID 127244845) has the molecular formula C18H20N4 and a molecular weight of 292.39 g/mol. Its IUPAC name is 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole.

Molecular Properties

Compound Name6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole
PubChem CID127244845
Molecular FormulaC18H20N4
Molecular Weight292.39 g/mol
Exact Mass292.17
IUPAC Name6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole
SMILESc1cc(C2CCCCN2Cc2ccc3cc[nH]c3c2)ncn1
InChIInChI=1S/C18H20N4/c1-2-10-22(18(3-1)16-7-8-19-13-21-16)12-14-4-5-15-6-9-20-17(15)11-14/h4-9,11,13,18,20H,1-3,10,12H2
InChIKeyPOMRNMLUINEGAE-UHFFFAOYSA-N
XLogP3.69
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 110270807
4-[(2S)-1-[(3-chlorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 95845165
6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline
CID 124986639
2-methyl-5-[[(2R)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 125026753
4-(1-benzylpyrrolidin-2-yl)pyrimidine
CID 175656203
4-[4-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrimidin-2-yl]-3,5-dimethyl-1,2-oxazole
CID 110129488
2-methoxy-5-[[(2S)-2-pyrimidin-4-ylpiperidin-1-yl]methyl]pyrimidine
CID 95846033
3-[6-[1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]-2-pyridinyl]propanamide
CID 110255865
4-[(2S)-1-[(2,5-difluorophenyl)methyl]piperidin-2-yl]pyrimidine
CID 124953340
6-[[2-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]methyl]-1H-indole
CID 110104329
4-[1-(furan-2-ylmethyl)piperidin-2-yl]pyrimidine
CID 127244796
N-[[6-[(2S)-1-(1H-indol-6-ylmethyl)pyrrolidin-2-yl]pyrazin-2-yl]methyl]acetamide
CID 124983565

Frequently Asked Questions

What is the IUPAC name of 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole?
The IUPAC name of 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole (CID 127244845) is 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole.
What is the SMILES notation for 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole?
The canonical SMILES for 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole is c1cc(C2CCCCN2Cc2ccc3cc[nH]c3c2)ncn1.
What is the InChIKey of 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole?
The InChIKey is POMRNMLUINEGAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4/c1-2-10-22(18(3-1)16-7-8-19-13-21-16)12-14-4-5-15-6-9-20-17(15)11-14/h4-9,11,13,18,20H,1-3,10,12H2.
What are the key properties of 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole?
6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole has a molecular weight of 292.39 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-pyrimidin-4-ylpiperidin-1-yl)methyl]-1H-indole is sourced from PubChem (CID 127244845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).