3-(1-butylpiperidin-4-yl)-1H-indole

C17H24N2 — CID 21135948

IUPAC3-(1-butylpiperidin-4-yl)-1H-indole
SMILESCCCCN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H24N2/c1-2-3-10-19-11-8-14(9-12-19)16-13-18-17-7-5-4-6-15(16)17/h4-7,13-14,18H,2-3,8-12H2,1H3
InChIKeyRDJNITXIUKYASF-UHFFFAOYSA-N
MW256.39 g/mol
LogP4.15
Rot. Bonds4

About 3-(1-butylpiperidin-4-yl)-1H-indole

3-(1-butylpiperidin-4-yl)-1H-indole (PubChem CID 21135948) has the molecular formula C17H24N2 and a molecular weight of 256.39 g/mol. Its IUPAC name is 3-(1-butylpiperidin-4-yl)-1H-indole.

Molecular Properties

Compound Name3-(1-butylpiperidin-4-yl)-1H-indole
PubChem CID21135948
Molecular FormulaC17H24N2
Molecular Weight256.39 g/mol
Exact Mass256.19
IUPAC Name3-(1-butylpiperidin-4-yl)-1H-indole
SMILESCCCCN1CCC(c2c[nH]c3ccccc23)CC1
InChIInChI=1S/C17H24N2/c1-2-3-10-19-11-8-14(9-12-19)16-13-18-17-7-5-4-6-15(16)17/h4-7,13-14,18H,2-3,8-12H2,1H3
InChIKeyRDJNITXIUKYASF-UHFFFAOYSA-N
XLogP4.15
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-[1-(3-piperidin-1-ylpropyl)piperidin-4-yl]-1H-indole;hydrochloride
CID 18001248
2-[4-(1H-indol-3-yl)piperidin-1-yl]ethanethiol
CID 116997210
buta-1,3-diene;ethane;3-[4-(1H-indol-3-yl)piperidin-1-yl]propan-1-amine
CID 143060234
3-(1-methylpiperidin-4-yl)-1H-indole;dihydrochloride
CID 174560357
3-[1-[2-(4-methylphenyl)ethyl]piperidin-4-yl]-1H-indole
CID 67753677
3-(1-butylsulfonylpiperidin-4-yl)-1H-indole
CID 84562582
3-[4-[4-(1H-indol-3-yl)piperidin-1-yl]butyl]-1H-benzimidazol-2-one
CID 13056042
3-[1-(2-pyrrolidin-2-ylethyl)piperidin-4-yl]-1H-indole
CID 67426458
3-[1-(3-piperidin-3-ylpropyl)piperidin-4-yl]-1H-indole
CID 70036582
3-[1-(1,3-dihydroisoindol-2-ylmethyl)piperidin-4-yl]-1H-indole;methane
CID 158590362
methane;3-[1-[(4-phenylpiperidin-1-yl)methyl]piperidin-4-yl]-1H-indole
CID 160789149
3-(1-methylpyrrolidin-3-yl)-1H-indole
CID 19337

Frequently Asked Questions

What is the IUPAC name of 3-(1-butylpiperidin-4-yl)-1H-indole?
The IUPAC name of 3-(1-butylpiperidin-4-yl)-1H-indole (CID 21135948) is 3-(1-butylpiperidin-4-yl)-1H-indole.
What is the SMILES notation for 3-(1-butylpiperidin-4-yl)-1H-indole?
The canonical SMILES for 3-(1-butylpiperidin-4-yl)-1H-indole is CCCCN1CCC(c2c[nH]c3ccccc23)CC1.
What is the InChIKey of 3-(1-butylpiperidin-4-yl)-1H-indole?
The InChIKey is RDJNITXIUKYASF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2/c1-2-3-10-19-11-8-14(9-12-19)16-13-18-17-7-5-4-6-15(16)17/h4-7,13-14,18H,2-3,8-12H2,1H3.
What are the key properties of 3-(1-butylpiperidin-4-yl)-1H-indole?
3-(1-butylpiperidin-4-yl)-1H-indole has a molecular weight of 256.39 g/mol, XLogP of 4.15, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-butylpiperidin-4-yl)-1H-indole is sourced from PubChem (CID 21135948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).