N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]propan-2-amine

C14H21F3N4 — CID 59586089

IUPACN-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N4/c1-10(2)19-9-11-4-7-21(8-5-11)13-18-6-3-12(20-13)14(15,16)17/h3,6,10-11,19H,4-5,7-9H2,1-2H3
InChIKeySVERSXRLYXAZMG-UHFFFAOYSA-N
MW302.34 g/mol
LogP2.71
Rot. Bonds4

About N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]propan-2-amine

N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]propan-2-amine (PubChem CID 59586089) has the molecular formula C14H21F3N4 and a molecular weight of 302.34 g/mol. Its IUPAC name is N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]propan-2-amine
PubChem CID59586089
Molecular FormulaC14H21F3N4
Molecular Weight302.34 g/mol
Exact Mass302.17
IUPAC NameN-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]propan-2-amine
SMILESCC(C)NCC1CCN(c2nccc(C(F)(F)F)n2)CC1
InChIInChI=1S/C14H21F3N4/c1-10(2)19-9-11-4-7-21(8-5-11)13-18-6-3-12(20-13)14(15,16)17/h3,6,10-11,19H,4-5,7-9H2,1-2H3
InChIKeySVERSXRLYXAZMG-UHFFFAOYSA-N
XLogP2.71
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]propan-2-amine (CID 59586089) is N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]propan-2-amine is CC(C)NCC1CCN(c2nccc(C(F)(F)F)n2)CC1.
What is the InChIKey of N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]propan-2-amine?
The InChIKey is SVERSXRLYXAZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3N4/c1-10(2)19-9-11-4-7-21(8-5-11)13-18-6-3-12(20-13)14(15,16)17/h3,6,10-11,19H,4-5,7-9H2,1-2H3.
What are the key properties of N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]propan-2-amine?
N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]propan-2-amine has a molecular weight of 302.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]methyl]propan-2-amine is sourced from PubChem (CID 59586089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).