4-chloro-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine

C11H16ClN5 — CID 2837384

IUPAC4-chloro-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C11H16ClN5/c1-2-6-13-10-14-9(12)15-11(16-10)17-7-4-3-5-8-17/h2H,1,3-8H2,(H,13,14,15,16)
InChIKeyHNUWUSYEBSQTBQ-UHFFFAOYSA-N
MW253.74 g/mol
LogP2.11
Rot. Bonds4

About 4-chloro-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine

4-chloro-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine (PubChem CID 2837384) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is 4-chloro-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine
PubChem CID2837384
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC Name4-chloro-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine
SMILESC=CCNc1nc(Cl)nc(N2CCCCC2)n1
InChIInChI=1S/C11H16ClN5/c1-2-6-13-10-14-9(12)15-11(16-10)17-7-4-3-5-8-17/h2H,1,3-8H2,(H,13,14,15,16)
InChIKeyHNUWUSYEBSQTBQ-UHFFFAOYSA-N
XLogP2.11
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-allyl-6-chloro-N'-cyclohexyl-1,3,5-triazine-2,4-diamine
CID 2056397
Allyl-(4,6-di-piperidin-1-yl-[1,3,5]triazin-2-yl)-amine
CID 3107860
6-chloro-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 44725283
6-chloro-4-N-octyl-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 189564
6-Chloro-4-N-ethyl-2-N,2-N-di(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 183260
6-piperidin-1-yl-2-N,2-N,4-N,4-N-tetrakis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 101639756
2-Amino-4-chloro-6-[3-(1-piperidyl)propylamino]s-triazine, monohydrochloride
CID 459160
6-chloro-4-N-heptyl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 3107857
N'-allyl-6-chloro-N,N-diethyl-1,3,5-triazine-2,4-diamine
CID 3817889
6-chloro-4-N-cyclohexyl-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 13701769
Diallyl-(4-chloro-6-propylamino-s-triazin-2-yl)amine
CID 14317544
4-N-butyl-6-chloro-2-N,2-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 14317545

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine (CID 2837384) is 4-chloro-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine is C=CCNc1nc(Cl)nc(N2CCCCC2)n1.
What is the InChIKey of 4-chloro-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
The InChIKey is HNUWUSYEBSQTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5/c1-2-6-13-10-14-9(12)15-11(16-10)17-7-4-3-5-8-17/h2H,1,3-8H2,(H,13,14,15,16).
What are the key properties of 4-chloro-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine?
4-chloro-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine has a molecular weight of 253.74 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-piperidin-1-yl-N-prop-2-enyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 2837384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).