(Z)-2-chloro-1-(1-methylpiperidin-4-yl)-N-[(Z)-prop-1-enyl]pent-2-en-1-imine

C14H23ClN2 — CID 169205138

IUPAC(Z)-2-chloro-1-(1-methylpiperidin-4-yl)-N-[(Z)-prop-1-enyl]pent-2-en-1-imine
SMILESC/C=C\N=C(C(/Cl)=C/CC)\C1CCN(C)CC1
InChIInChI=1S/C14H23ClN2/c1-4-6-13(15)14(16-9-5-2)12-7-10-17(3)11-8-12/h5-6,9,12H,4,7-8,10-11H2,1-3H3/b9-5-,13-6-,16-14-
InChIKeyIDXQOMCCPQAWNL-PJAYJDBUSA-N
MW254.80 g/mol
LogP3.84
Rot. Bonds4

About (Z)-2-chloro-1-(1-methylpiperidin-4-yl)-N-[(Z)-prop-1-enyl]pent-2-en-1-imine

(Z)-2-chloro-1-(1-methylpiperidin-4-yl)-N-[(Z)-prop-1-enyl]pent-2-en-1-imine (PubChem CID 169205138) has the molecular formula C14H23ClN2 and a molecular weight of 254.80 g/mol. Its IUPAC name is (Z)-2-chloro-1-(1-methylpiperidin-4-yl)-N-[(Z)-prop-1-enyl]pent-2-en-1-imine.

Molecular Properties

Compound Name(Z)-2-chloro-1-(1-methylpiperidin-4-yl)-N-[(Z)-prop-1-enyl]pent-2-en-1-imine
PubChem CID169205138
Molecular FormulaC14H23ClN2
Molecular Weight254.80 g/mol
Exact Mass254.15
IUPAC Name(Z)-2-chloro-1-(1-methylpiperidin-4-yl)-N-[(Z)-prop-1-enyl]pent-2-en-1-imine
SMILESC/C=C\N=C(C(/Cl)=C/CC)\C1CCN(C)CC1
InChIInChI=1S/C14H23ClN2/c1-4-6-13(15)14(16-9-5-2)12-7-10-17(3)11-8-12/h5-6,9,12H,4,7-8,10-11H2,1-3H3/b9-5-,13-6-,16-14-
InChIKeyIDXQOMCCPQAWNL-PJAYJDBUSA-N
XLogP3.84
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.80
LogP ≤ 53.84
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 (Z)-2-chloro-1-(1-methylpiperidin-4-yl)-N-[(Z)-prop-1-enyl]pent-2-en-1-imine?
The IUPAC name of (Z)-2-chloro-1-(1-methylpiperidin-4-yl)-N-[(Z)-prop-1-enyl]pent-2-en-1-imine (CID 169205138) is (Z)-2-chloro-1-(1-methylpiperidin-4-yl)-N-[(Z)-prop-1-enyl]pent-2-en-1-imine.
What is the SMILES notation for (Z)-2-chloro-1-(1-methylpiperidin-4-yl)-N-[(Z)-prop-1-enyl]pent-2-en-1-imine?
The canonical SMILES for (Z)-2-chloro-1-(1-methylpiperidin-4-yl)-N-[(Z)-prop-1-enyl]pent-2-en-1-imine is C/C=C\N=C(C(/Cl)=C/CC)\C1CCN(C)CC1.
What is the InChIKey of (Z)-2-chloro-1-(1-methylpiperidin-4-yl)-N-[(Z)-prop-1-enyl]pent-2-en-1-imine?
The InChIKey is IDXQOMCCPQAWNL-PJAYJDBUSA-N. The full InChI is InChI=1S/C14H23ClN2/c1-4-6-13(15)14(16-9-5-2)12-7-10-17(3)11-8-12/h5-6,9,12H,4,7-8,10-11H2,1-3H3/b9-5-,13-6-,16-14-.
What are the key properties of (Z)-2-chloro-1-(1-methylpiperidin-4-yl)-N-[(Z)-prop-1-enyl]pent-2-en-1-imine?
(Z)-2-chloro-1-(1-methylpiperidin-4-yl)-N-[(Z)-prop-1-enyl]pent-2-en-1-imine has a molecular weight of 254.80 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-1-(1-methylpiperidin-4-yl)-N-[(Z)-prop-1-enyl]pent-2-en-1-imine is sourced from PubChem (CID 169205138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).