1-methyl-2-[(3S)-piperidin-3-yl]indole

C14H18N2 — CID 124505211

IUPAC1-methyl-2-[(3S)-piperidin-3-yl]indole
SMILESCn1c([C@H]2CCCNC2)cc2ccccc21
InChIInChI=1S/C14H18N2/c1-16-13-7-3-2-5-11(13)9-14(16)12-6-4-8-15-10-12/h2-3,5,7,9,12,15H,4,6,8,10H2,1H3/t12-/m0/s1
InChIKeyBEEAOZYFWHIDPF-LBPRGKRZSA-N
MW214.31 g/mol
LogP2.65
Rot. Bonds1

About 1-methyl-2-[(3S)-piperidin-3-yl]indole

1-methyl-2-[(3S)-piperidin-3-yl]indole (PubChem CID 124505211) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 1-methyl-2-[(3S)-piperidin-3-yl]indole.

Molecular Properties

Compound Name1-methyl-2-[(3S)-piperidin-3-yl]indole
PubChem CID124505211
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name1-methyl-2-[(3S)-piperidin-3-yl]indole
SMILESCn1c([C@H]2CCCNC2)cc2ccccc21
InChIInChI=1S/C14H18N2/c1-16-13-7-3-2-5-11(13)9-14(16)12-6-4-8-15-10-12/h2-3,5,7,9,12,15H,4,6,8,10H2,1H3/t12-/m0/s1
InChIKeyBEEAOZYFWHIDPF-LBPRGKRZSA-N
XLogP2.65
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-methoxy-1-methyl-2-piperidin-3-ylpyrrolo[3,2-b]pyridine
CID 82384884
7-chloro-1-methyl-2-pyrrolidin-3-ylindole
CID 84627998
3-naphthalen-2-ylpiperidine;hydrochloride
CID 45073830
1-methyl-2-(1-methylsulfonylpiperidin-4-yl)indole
CID 113087981
cyclobutyl-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088482
1-methyl-3-(3-piperidin-3-ylphenyl)piperidine
CID 116988809
(4-fluorophenyl)-[3-(1-methylindol-2-yl)pyrrolidin-1-yl]methanone
CID 113088434
(3S)-3-(1-ethylpyrrol-2-yl)piperidine
CID 125425376
1,6,7-trimethyl-2-pyrrolidin-3-ylindole
CID 84625616
methyl 4-(1-methylindol-2-yl)piperidine-1-carboxylate
CID 113087974
1,5-dimethyl-6-piperidin-3-ylpyrrolo[3,2-b]pyridine
CID 142415545
3-(3-cyclopropyl-1-methylpyrazol-5-yl)piperidine
CID 83833173

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[(3S)-piperidin-3-yl]indole?
The IUPAC name of 1-methyl-2-[(3S)-piperidin-3-yl]indole (CID 124505211) is 1-methyl-2-[(3S)-piperidin-3-yl]indole.
What is the SMILES notation for 1-methyl-2-[(3S)-piperidin-3-yl]indole?
The canonical SMILES for 1-methyl-2-[(3S)-piperidin-3-yl]indole is Cn1c([C@H]2CCCNC2)cc2ccccc21.
What is the InChIKey of 1-methyl-2-[(3S)-piperidin-3-yl]indole?
The InChIKey is BEEAOZYFWHIDPF-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H18N2/c1-16-13-7-3-2-5-11(13)9-14(16)12-6-4-8-15-10-12/h2-3,5,7,9,12,15H,4,6,8,10H2,1H3/t12-/m0/s1.
What are the key properties of 1-methyl-2-[(3S)-piperidin-3-yl]indole?
1-methyl-2-[(3S)-piperidin-3-yl]indole has a molecular weight of 214.31 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[(3S)-piperidin-3-yl]indole is sourced from PubChem (CID 124505211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).