1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]piperidin-4-ol

C14H23N5O — CID 3073367

IUPAC1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]piperidin-4-ol
SMILESCCCc1nc(NC2CC2)nc(N2CCC(O)CC2)n1
InChIInChI=1S/C14H23N5O/c1-2-3-12-16-13(15-10-4-5-10)18-14(17-12)19-8-6-11(20)7-9-19/h10-11,20H,2-9H2,1H3,(H,15,16,17,18)
InChIKeyOCADGCCKLKOBMI-UHFFFAOYSA-N
MW277.37 g/mol
LogP1.36
Rot. Bonds5

About 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]piperidin-4-ol

1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]piperidin-4-ol (PubChem CID 3073367) has the molecular formula C14H23N5O and a molecular weight of 277.37 g/mol. Its IUPAC name is 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]piperidin-4-ol
PubChem CID3073367
Molecular FormulaC14H23N5O
Molecular Weight277.37 g/mol
Exact Mass277.19
IUPAC Name1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]piperidin-4-ol
SMILESCCCc1nc(NC2CC2)nc(N2CCC(O)CC2)n1
InChIInChI=1S/C14H23N5O/c1-2-3-12-16-13(15-10-4-5-10)18-14(17-12)19-8-6-11(20)7-9-19/h10-11,20H,2-9H2,1H3,(H,15,16,17,18)
InChIKeyOCADGCCKLKOBMI-UHFFFAOYSA-N
XLogP1.36
TPSA74.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]piperidin-4-ol?
The IUPAC name of 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]piperidin-4-ol (CID 3073367) is 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]piperidin-4-ol.
What is the SMILES notation for 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]piperidin-4-ol?
The canonical SMILES for 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]piperidin-4-ol is CCCc1nc(NC2CC2)nc(N2CCC(O)CC2)n1.
What is the InChIKey of 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]piperidin-4-ol?
The InChIKey is OCADGCCKLKOBMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O/c1-2-3-12-16-13(15-10-4-5-10)18-14(17-12)19-8-6-11(20)7-9-19/h10-11,20H,2-9H2,1H3,(H,15,16,17,18).
What are the key properties of 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]piperidin-4-ol?
1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]piperidin-4-ol has a molecular weight of 277.37 g/mol, XLogP of 1.36, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylamino)-6-propyl-1,3,5-triazin-2-yl]piperidin-4-ol is sourced from PubChem (CID 3073367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).