5-[(5S)-5-methylpiperidin-2-yl]-6,7-dihydro-3H-indol-2-amine

C14H21N3 — CID 166963534

IUPAC5-[(5S)-5-methylpiperidin-2-yl]-6,7-dihydro-3H-indol-2-amine
SMILESC[C@H]1CCC(C2=CC3=C(CC2)N=C(N)C3)NC1
InChIInChI=1S/C14H21N3/c1-9-2-4-12(16-8-9)10-3-5-13-11(6-10)7-14(15)17-13/h6,9,12,16H,2-5,7-8H2,1H3,(H2,15,17)/t9-,12?/m0/s1
InChIKeyMEDCGFGSTVLJEN-QHGLUPRGSA-N
MW231.34 g/mol
LogP2.11
Rot. Bonds1

About 5-[(5S)-5-methylpiperidin-2-yl]-6,7-dihydro-3H-indol-2-amine

5-[(5S)-5-methylpiperidin-2-yl]-6,7-dihydro-3H-indol-2-amine (PubChem CID 166963534) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 5-[(5S)-5-methylpiperidin-2-yl]-6,7-dihydro-3H-indol-2-amine.

Molecular Properties

Compound Name5-[(5S)-5-methylpiperidin-2-yl]-6,7-dihydro-3H-indol-2-amine
PubChem CID166963534
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name5-[(5S)-5-methylpiperidin-2-yl]-6,7-dihydro-3H-indol-2-amine
SMILESC[C@H]1CCC(C2=CC3=C(CC2)N=C(N)C3)NC1
InChIInChI=1S/C14H21N3/c1-9-2-4-12(16-8-9)10-3-5-13-11(6-10)7-14(15)17-13/h6,9,12,16H,2-5,7-8H2,1H3,(H2,15,17)/t9-,12?/m0/s1
InChIKeyMEDCGFGSTVLJEN-QHGLUPRGSA-N
XLogP2.11
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[(5S)-5-methylpiperidin-2-yl]-6,7-dihydro-3H-indol-2-amine?
The IUPAC name of 5-[(5S)-5-methylpiperidin-2-yl]-6,7-dihydro-3H-indol-2-amine (CID 166963534) is 5-[(5S)-5-methylpiperidin-2-yl]-6,7-dihydro-3H-indol-2-amine.
What is the SMILES notation for 5-[(5S)-5-methylpiperidin-2-yl]-6,7-dihydro-3H-indol-2-amine?
The canonical SMILES for 5-[(5S)-5-methylpiperidin-2-yl]-6,7-dihydro-3H-indol-2-amine is C[C@H]1CCC(C2=CC3=C(CC2)N=C(N)C3)NC1.
What is the InChIKey of 5-[(5S)-5-methylpiperidin-2-yl]-6,7-dihydro-3H-indol-2-amine?
The InChIKey is MEDCGFGSTVLJEN-QHGLUPRGSA-N. The full InChI is InChI=1S/C14H21N3/c1-9-2-4-12(16-8-9)10-3-5-13-11(6-10)7-14(15)17-13/h6,9,12,16H,2-5,7-8H2,1H3,(H2,15,17)/t9-,12?/m0/s1.
What are the key properties of 5-[(5S)-5-methylpiperidin-2-yl]-6,7-dihydro-3H-indol-2-amine?
5-[(5S)-5-methylpiperidin-2-yl]-6,7-dihydro-3H-indol-2-amine has a molecular weight of 231.34 g/mol, XLogP of 2.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5S)-5-methylpiperidin-2-yl]-6,7-dihydro-3H-indol-2-amine is sourced from PubChem (CID 166963534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).