(3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine

C16H23N3 — CID 164637157

IUPAC(3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine
SMILESCN(C)[C@H]1CCCN(Cc2cccc3cc[nH]c23)C1
InChIInChI=1S/C16H23N3/c1-18(2)15-7-4-10-19(12-15)11-14-6-3-5-13-8-9-17-16(13)14/h3,5-6,8-9,15,17H,4,7,10-12H2,1-2H3/t15-/m0/s1
InChIKeyQNCMDHHFODENMW-HNNXBMFYSA-N
MW257.38 g/mol
LogP2.69
Rot. Bonds3

About (3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine

(3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine (PubChem CID 164637157) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is (3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine.

Molecular Properties

Compound Name(3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine
PubChem CID164637157
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name(3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine
SMILESCN(C)[C@H]1CCCN(Cc2cccc3cc[nH]c23)C1
InChIInChI=1S/C16H23N3/c1-18(2)15-7-4-10-19(12-15)11-14-6-3-5-13-8-9-17-16(13)14/h3,5-6,8-9,15,17H,4,7,10-12H2,1-2H3/t15-/m0/s1
InChIKeyQNCMDHHFODENMW-HNNXBMFYSA-N
XLogP2.69
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine?
The IUPAC name of (3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine (CID 164637157) is (3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine.
What is the SMILES notation for (3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine?
The canonical SMILES for (3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine is CN(C)[C@H]1CCCN(Cc2cccc3cc[nH]c23)C1.
What is the InChIKey of (3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine?
The InChIKey is QNCMDHHFODENMW-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H23N3/c1-18(2)15-7-4-10-19(12-15)11-14-6-3-5-13-8-9-17-16(13)14/h3,5-6,8-9,15,17H,4,7,10-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine?
(3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine has a molecular weight of 257.38 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1H-indol-7-ylmethyl)-N,N-dimethylpiperidin-3-amine is sourced from PubChem (CID 164637157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).