(E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine

C14H17N3 — CID 135675955

IUPAC(E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine
SMILESC(=N/N1CCCCC1)\c1c[nH]c2ccccc12
InChIInChI=1S/C14H17N3/c1-4-8-17(9-5-1)16-11-12-10-15-14-7-3-2-6-13(12)14/h2-3,6-7,10-11,15H,1,4-5,8-9H2/b16-11+
InChIKeyXTTSCQWOTGMLIT-LFIBNONCSA-N
MW227.31 g/mol
LogP2.99
Rot. Bonds2

About (E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine

(E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine (PubChem CID 135675955) has the molecular formula C14H17N3 and a molecular weight of 227.31 g/mol. Its IUPAC name is (E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine.

Molecular Properties

Compound Name(E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine
PubChem CID135675955
Molecular FormulaC14H17N3
Molecular Weight227.31 g/mol
Exact Mass227.14
IUPAC Name(E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine
SMILESC(=N/N1CCCCC1)\c1c[nH]c2ccccc12
InChIInChI=1S/C14H17N3/c1-4-8-17(9-5-1)16-11-12-10-15-14-7-3-2-6-13(12)14/h2-3,6-7,10-11,15H,1,4-5,8-9H2/b16-11+
InChIKeyXTTSCQWOTGMLIT-LFIBNONCSA-N
XLogP2.99
TPSA31.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

(E)-N-(3,5-dimethyl-1,2,4-triazol-4-yl)-1-(1H-indol-3-yl)methanimine
CID 135558233
1-(1H-indol-3-yl)-N-(4-pyrrolidin-1-ylsulfonylphenyl)methanimine
CID 135719312
(E)-1-(1H-indol-3-yl)-N-(1,2,4-triazol-1-yl)methanimine
CID 135614731
N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide
CID 154480630
N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide
CID 135818917
(1S,2R,6S,7R)-4-[(Z)-1H-indol-3-ylmethylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 136672603
(1R,2S,6S,7S)-4-[(Z)-1H-indol-3-ylmethylideneamino]-4-azatricyclo[5.2.2.02,6]undec-8-ene-3,5-dione
CID 135880730
(Z)-3-(1H-indol-3-yl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
CID 2390471
(15S,19S)-17-[(Z)-1H-indol-3-ylmethylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 137126786
(15R,19R)-17-[(Z)-1H-indol-3-ylmethylideneamino]-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 137126785
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
(1R,2S,6S,7R)-4-[(Z)-1H-indol-3-ylmethylideneamino]spiro[4-azatricyclo[5.2.1.02,6]dec-8-ene-10,1'-cyclopropane]-3,5-dione
CID 137030284

Frequently Asked Questions

What is the IUPAC name of (E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine?
The IUPAC name of (E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine (CID 135675955) is (E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine.
What is the SMILES notation for (E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine?
The canonical SMILES for (E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine is C(=N/N1CCCCC1)\c1c[nH]c2ccccc12.
What is the InChIKey of (E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine?
The InChIKey is XTTSCQWOTGMLIT-LFIBNONCSA-N. The full InChI is InChI=1S/C14H17N3/c1-4-8-17(9-5-1)16-11-12-10-15-14-7-3-2-6-13(12)14/h2-3,6-7,10-11,15H,1,4-5,8-9H2/b16-11+.
What are the key properties of (E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine?
(E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine has a molecular weight of 227.31 g/mol, XLogP of 2.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(1H-indol-3-yl)-N-piperidin-1-ylmethanimine is sourced from PubChem (CID 135675955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).