2-piperidin-3-yl-N-prop-2-enylideneethanimidamide

C10H17N3 — CID 89089099

IUPAC2-piperidin-3-yl-N-prop-2-enylideneethanimidamide
SMILES[H]/N=C(CC1CCCNC1)\N=C\C=C
InChIInChI=1S/C10H17N3/c1-2-5-13-10(11)7-9-4-3-6-12-8-9/h2,5,9,11-12H,1,3-4,6-8H2/b11-10-,13-5+
InChIKeyFWRWQQUXPLAJTN-RUOUNYFASA-N
MW179.27 g/mol
LogP1.61
Rot. Bonds3

About 2-piperidin-3-yl-N-prop-2-enylideneethanimidamide

2-piperidin-3-yl-N-prop-2-enylideneethanimidamide (PubChem CID 89089099) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is 2-piperidin-3-yl-N-prop-2-enylideneethanimidamide.

Molecular Properties

Compound Name2-piperidin-3-yl-N-prop-2-enylideneethanimidamide
PubChem CID89089099
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC Name2-piperidin-3-yl-N-prop-2-enylideneethanimidamide
SMILES[H]/N=C(CC1CCCNC1)\N=C\C=C
InChIInChI=1S/C10H17N3/c1-2-5-13-10(11)7-9-4-3-6-12-8-9/h2,5,9,11-12H,1,3-4,6-8H2/b11-10-,13-5+
InChIKeyFWRWQQUXPLAJTN-RUOUNYFASA-N
XLogP1.61
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

4-methylpiperidine;N-(2-methylprop-2-enylidene)methanimidamide
CID 144136758
4-methylpiperidine;N'-methyl-N-prop-2-enylideneethanimidamide
CID 169104198

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-3-yl-N-prop-2-enylideneethanimidamide?
The IUPAC name of 2-piperidin-3-yl-N-prop-2-enylideneethanimidamide (CID 89089099) is 2-piperidin-3-yl-N-prop-2-enylideneethanimidamide.
What is the SMILES notation for 2-piperidin-3-yl-N-prop-2-enylideneethanimidamide?
The canonical SMILES for 2-piperidin-3-yl-N-prop-2-enylideneethanimidamide is [H]/N=C(CC1CCCNC1)\N=C\C=C.
What is the InChIKey of 2-piperidin-3-yl-N-prop-2-enylideneethanimidamide?
The InChIKey is FWRWQQUXPLAJTN-RUOUNYFASA-N. The full InChI is InChI=1S/C10H17N3/c1-2-5-13-10(11)7-9-4-3-6-12-8-9/h2,5,9,11-12H,1,3-4,6-8H2/b11-10-,13-5+.
What are the key properties of 2-piperidin-3-yl-N-prop-2-enylideneethanimidamide?
2-piperidin-3-yl-N-prop-2-enylideneethanimidamide has a molecular weight of 179.27 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-3-yl-N-prop-2-enylideneethanimidamide is sourced from PubChem (CID 89089099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).