4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole

C19H26N2 — CID 174347628

IUPAC4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole
SMILESCc1cc(C)c2[nH]ccc2c1CN1CCC(C2CC2)CC1
InChIInChI=1S/C19H26N2/c1-13-11-14(2)19-17(5-8-20-19)18(13)12-21-9-6-16(7-10-21)15-3-4-15/h5,8,11,15-16,20H,3-4,6-7,9-10,12H2,1-2H3
InChIKeyKAMGTBCZAIXREL-UHFFFAOYSA-N
MW282.43 g/mol
LogP4.41
Rot. Bonds3

About 4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole

4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole (PubChem CID 174347628) has the molecular formula C19H26N2 and a molecular weight of 282.43 g/mol. Its IUPAC name is 4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole.

Molecular Properties

Compound Name4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole
PubChem CID174347628
Molecular FormulaC19H26N2
Molecular Weight282.43 g/mol
Exact Mass282.21
IUPAC Name4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole
SMILESCc1cc(C)c2[nH]ccc2c1CN1CCC(C2CC2)CC1
InChIInChI=1S/C19H26N2/c1-13-11-14(2)19-17(5-8-20-19)18(13)12-21-9-6-16(7-10-21)15-3-4-15/h5,8,11,15-16,20H,3-4,6-7,9-10,12H2,1-2H3
InChIKeyKAMGTBCZAIXREL-UHFFFAOYSA-N
XLogP4.41
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.43
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole?
The IUPAC name of 4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole (CID 174347628) is 4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole.
What is the SMILES notation for 4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole?
The canonical SMILES for 4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole is Cc1cc(C)c2[nH]ccc2c1CN1CCC(C2CC2)CC1.
What is the InChIKey of 4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole?
The InChIKey is KAMGTBCZAIXREL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2/c1-13-11-14(2)19-17(5-8-20-19)18(13)12-21-9-6-16(7-10-21)15-3-4-15/h5,8,11,15-16,20H,3-4,6-7,9-10,12H2,1-2H3.
What are the key properties of 4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole?
4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole has a molecular weight of 282.43 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-cyclopropylpiperidin-1-yl)methyl]-5,7-dimethyl-1H-indole is sourced from PubChem (CID 174347628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).