N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine

C14H24N4 — CID 79714663

IUPACN-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ncccn1)CC1CCNCC1
InChIInChI=1S/C14H24N4/c1-12(2)18(10-13-4-8-15-9-5-13)11-14-16-6-3-7-17-14/h3,6-7,12-13,15H,4-5,8-11H2,1-2H3
InChIKeyFDIGFALUFBAQCO-UHFFFAOYSA-N
MW248.37 g/mol
LogP1.69
Rot. Bonds5

About N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine

N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine (PubChem CID 79714663) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine
PubChem CID79714663
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC NameN-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ncccn1)CC1CCNCC1
InChIInChI=1S/C14H24N4/c1-12(2)18(10-13-4-8-15-9-5-13)11-14-16-6-3-7-17-14/h3,6-7,12-13,15H,4-5,8-11H2,1-2H3
InChIKeyFDIGFALUFBAQCO-UHFFFAOYSA-N
XLogP1.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715140
N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79704176
N-[(2-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715212
N-(1,3-benzoxazol-2-ylmethyl)-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79703555
N-(piperidin-4-ylmethyl)-N-(2-pyrazol-1-ylethyl)propan-2-amine
CID 79714881
N-(piperidin-4-ylmethyl)-N-(2-thiophen-2-ylethyl)propan-2-amine
CID 79713906
N-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79703559
N-[(3,4-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715630
N-[[4-(methoxymethyl)phenyl]methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79698883
(2R)-1-[piperidin-4-ylmethyl(propan-2-yl)amino]propan-2-ol
CID 106933609
N-[(2-chloro-6-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-2-amine
CID 79715282
3-[[piperidin-4-ylmethyl(propan-2-yl)amino]methyl]benzonitrile
CID 79715783

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine (CID 79714663) is N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine is CC(C)N(Cc1ncccn1)CC1CCNCC1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine?
The InChIKey is FDIGFALUFBAQCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-12(2)18(10-13-4-8-15-9-5-13)11-14-16-6-3-7-17-14/h3,6-7,12-13,15H,4-5,8-11H2,1-2H3.
What are the key properties of N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine?
N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine has a molecular weight of 248.37 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-N-(pyrimidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 79714663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).