4-piperidin-1-yl-N-[(Z)-prop-1-enyl]butan-2-imine

C12H22N2 — CID 134388024

IUPAC4-piperidin-1-yl-N-[(Z)-prop-1-enyl]butan-2-imine
SMILESC/C=C\N=C(/C)CCN1CCCCC1
InChIInChI=1S/C12H22N2/c1-3-8-13-12(2)7-11-14-9-5-4-6-10-14/h3,8H,4-7,9-11H2,1-2H3/b8-3-,13-12+
InChIKeyNCSUJAPYMXKSEQ-YJNQABLTSA-N
MW194.32 g/mol
LogP2.86
Rot. Bonds4

About 4-piperidin-1-yl-N-[(Z)-prop-1-enyl]butan-2-imine

4-piperidin-1-yl-N-[(Z)-prop-1-enyl]butan-2-imine (PubChem CID 134388024) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is 4-piperidin-1-yl-N-[(Z)-prop-1-enyl]butan-2-imine.

Molecular Properties

Compound Name4-piperidin-1-yl-N-[(Z)-prop-1-enyl]butan-2-imine
PubChem CID134388024
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name4-piperidin-1-yl-N-[(Z)-prop-1-enyl]butan-2-imine
SMILESC/C=C\N=C(/C)CCN1CCCCC1
InChIInChI=1S/C12H22N2/c1-3-8-13-12(2)7-11-14-9-5-4-6-10-14/h3,8H,4-7,9-11H2,1-2H3/b8-3-,13-12+
InChIKeyNCSUJAPYMXKSEQ-YJNQABLTSA-N
XLogP2.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-N-[(Z)-prop-1-enyl]butan-2-imine?
The IUPAC name of 4-piperidin-1-yl-N-[(Z)-prop-1-enyl]butan-2-imine (CID 134388024) is 4-piperidin-1-yl-N-[(Z)-prop-1-enyl]butan-2-imine.
What is the SMILES notation for 4-piperidin-1-yl-N-[(Z)-prop-1-enyl]butan-2-imine?
The canonical SMILES for 4-piperidin-1-yl-N-[(Z)-prop-1-enyl]butan-2-imine is C/C=C\N=C(/C)CCN1CCCCC1.
What is the InChIKey of 4-piperidin-1-yl-N-[(Z)-prop-1-enyl]butan-2-imine?
The InChIKey is NCSUJAPYMXKSEQ-YJNQABLTSA-N. The full InChI is InChI=1S/C12H22N2/c1-3-8-13-12(2)7-11-14-9-5-4-6-10-14/h3,8H,4-7,9-11H2,1-2H3/b8-3-,13-12+.
What are the key properties of 4-piperidin-1-yl-N-[(Z)-prop-1-enyl]butan-2-imine?
4-piperidin-1-yl-N-[(Z)-prop-1-enyl]butan-2-imine has a molecular weight of 194.32 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-N-[(Z)-prop-1-enyl]butan-2-imine is sourced from PubChem (CID 134388024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).