N-piperidin-4-yl-N-prop-2-enylpyrimidin-2-amine;hydrochloride

C12H19ClN4 — CID 18374674

IUPACN-piperidin-4-yl-N-prop-2-enylpyrimidin-2-amine;hydrochloride
SMILESC=CCN(c1ncccn1)C1CCNCC1.Cl
InChIInChI=1S/C12H18N4.ClH/c1-2-10-16(11-4-8-13-9-5-11)12-14-6-3-7-15-12;/h2-3,6-7,11,13H,1,4-5,8-10H2;1H
InChIKeyVTFDJNXMMFVHFO-UHFFFAOYSA-N
MW254.76 g/mol
LogP1.64
Rot. Bonds4

About N-piperidin-4-yl-N-prop-2-enylpyrimidin-2-amine;hydrochloride

N-piperidin-4-yl-N-prop-2-enylpyrimidin-2-amine;hydrochloride (PubChem CID 18374674) has the molecular formula C12H19ClN4 and a molecular weight of 254.76 g/mol. Its IUPAC name is N-piperidin-4-yl-N-prop-2-enylpyrimidin-2-amine;hydrochloride.

Molecular Properties

Compound NameN-piperidin-4-yl-N-prop-2-enylpyrimidin-2-amine;hydrochloride
PubChem CID18374674
Molecular FormulaC12H19ClN4
Molecular Weight254.76 g/mol
Exact Mass254.13
IUPAC NameN-piperidin-4-yl-N-prop-2-enylpyrimidin-2-amine;hydrochloride
SMILESC=CCN(c1ncccn1)C1CCNCC1.Cl
InChIInChI=1S/C12H18N4.ClH/c1-2-10-16(11-4-8-13-9-5-11)12-14-6-3-7-15-12;/h2-3,6-7,11,13H,1,4-5,8-10H2;1H
InChIKeyVTFDJNXMMFVHFO-UHFFFAOYSA-N
XLogP1.64
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-cyclopropyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine
CID 79720212
2-N-cyclopropyl-2-N-prop-2-enylpyrimidine-2,4-diamine
CID 116797183
N-[1-(3-phenylbutyl)piperidin-4-yl]-N-prop-2-enylpyrimidin-2-amine
CID 89147972
8-(3-phenylbutyl)-N-prop-2-enyl-N-pyrimidin-2-yl-8-azabicyclo[3.2.1]octan-3-amine
CID 89147981
N-methyl-N-piperidin-4-ylpyridin-2-amine;hydrochloride
CID 71641470
N-prop-2-enyl-N-(pyridin-2-ylmethyl)piperidin-3-amine;dihydrochloride
CID 154885927
4-(1-prop-2-enylimidazol-2-yl)piperidine
CID 84733038
[5-[cyclopropyl(prop-2-enyl)amino]pyrazin-2-yl]methanol
CID 107372934
N-(3-chloropropyl)-N-cyclobutylpyrimidin-2-amine
CID 102871366
methyl 5-chloro-2-methyl-3-[piperidin-4-yl(prop-2-enyl)amino]benzoate
CID 89095817
6-piperidin-4-yl-N-prop-2-enyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 56701175
N-ethyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 60806467

Frequently Asked Questions

What is the IUPAC name of N-piperidin-4-yl-N-prop-2-enylpyrimidin-2-amine;hydrochloride?
The IUPAC name of N-piperidin-4-yl-N-prop-2-enylpyrimidin-2-amine;hydrochloride (CID 18374674) is N-piperidin-4-yl-N-prop-2-enylpyrimidin-2-amine;hydrochloride.
What is the SMILES notation for N-piperidin-4-yl-N-prop-2-enylpyrimidin-2-amine;hydrochloride?
The canonical SMILES for N-piperidin-4-yl-N-prop-2-enylpyrimidin-2-amine;hydrochloride is C=CCN(c1ncccn1)C1CCNCC1.Cl.
What is the InChIKey of N-piperidin-4-yl-N-prop-2-enylpyrimidin-2-amine;hydrochloride?
The InChIKey is VTFDJNXMMFVHFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4.ClH/c1-2-10-16(11-4-8-13-9-5-11)12-14-6-3-7-15-12;/h2-3,6-7,11,13H,1,4-5,8-10H2;1H.
What are the key properties of N-piperidin-4-yl-N-prop-2-enylpyrimidin-2-amine;hydrochloride?
N-piperidin-4-yl-N-prop-2-enylpyrimidin-2-amine;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-4-yl-N-prop-2-enylpyrimidin-2-amine;hydrochloride is sourced from PubChem (CID 18374674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).