4-(1-methylpiperidin-4-yl)-6-(piperidin-1-ylmethyl)pyrimidine

C16H26N4 — CID 172524123

IUPAC4-(1-methylpiperidin-4-yl)-6-(piperidin-1-ylmethyl)pyrimidine
SMILESCN1CCC(c2cc(CN3CCCCC3)ncn2)CC1
InChIInChI=1S/C16H26N4/c1-19-9-5-14(6-10-19)16-11-15(17-13-18-16)12-20-7-3-2-4-8-20/h11,13-14H,2-10,12H2,1H3
InChIKeySNAIOKPDIKEVFD-UHFFFAOYSA-N
MW274.41 g/mol
LogP2.27
Rot. Bonds3

About 4-(1-methylpiperidin-4-yl)-6-(piperidin-1-ylmethyl)pyrimidine

4-(1-methylpiperidin-4-yl)-6-(piperidin-1-ylmethyl)pyrimidine (PubChem CID 172524123) has the molecular formula C16H26N4 and a molecular weight of 274.41 g/mol. Its IUPAC name is 4-(1-methylpiperidin-4-yl)-6-(piperidin-1-ylmethyl)pyrimidine.

Molecular Properties

Compound Name4-(1-methylpiperidin-4-yl)-6-(piperidin-1-ylmethyl)pyrimidine
PubChem CID172524123
Molecular FormulaC16H26N4
Molecular Weight274.41 g/mol
Exact Mass274.22
IUPAC Name4-(1-methylpiperidin-4-yl)-6-(piperidin-1-ylmethyl)pyrimidine
SMILESCN1CCC(c2cc(CN3CCCCC3)ncn2)CC1
InChIInChI=1S/C16H26N4/c1-19-9-5-14(6-10-19)16-11-15(17-13-18-16)12-20-7-3-2-4-8-20/h11,13-14H,2-10,12H2,1H3
InChIKeySNAIOKPDIKEVFD-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylpiperidin-4-yl)-5-(piperidin-1-ylmethyl)pyrazine
CID 172524124
2-(1-methylpiperidin-4-yl)-4-pyrrolidin-1-ylpyridine
CID 163230195
2-(1-methylpiperidin-4-yl)-6-(pyrrolidin-1-ylmethyl)quinazoline
CID 174284496
1-(6-cyclobutylpyrimidin-4-yl)propan-2-amine
CID 83847176
N-methyl-6-(1-methylpiperidin-4-yl)-N-(pyrazin-2-ylmethyl)pyrimidin-4-amine
CID 46991194
N,N-dimethyl-N'-[6-(1-methylpiperidin-4-yl)pyrimidin-4-yl]-N'-[[(2R)-oxolan-2-yl]methyl]ethane-1,2-diamine
CID 95046435
4-cyclopropyl-6-[4-[(6-methoxy-2-pyridinyl)methyl]piperazin-1-yl]pyrimidine
CID 172891247
4-methyl-6-[(3-methylpiperidin-1-yl)methyl]pyrimidine
CID 177203757
2-(azepan-1-ylmethyl)pyridin-4-amine
CID 79244961
4-bromo-2-(piperidin-1-ylmethyl)pyridine
CID 91754381
2-(azepan-1-ylmethyl)-N-methylpyridin-4-amine
CID 79245088
2-(1-methylpiperidin-3-yl)-5-(piperidin-1-ylmethyl)pyridine
CID 172524114

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpiperidin-4-yl)-6-(piperidin-1-ylmethyl)pyrimidine?
The IUPAC name of 4-(1-methylpiperidin-4-yl)-6-(piperidin-1-ylmethyl)pyrimidine (CID 172524123) is 4-(1-methylpiperidin-4-yl)-6-(piperidin-1-ylmethyl)pyrimidine.
What is the SMILES notation for 4-(1-methylpiperidin-4-yl)-6-(piperidin-1-ylmethyl)pyrimidine?
The canonical SMILES for 4-(1-methylpiperidin-4-yl)-6-(piperidin-1-ylmethyl)pyrimidine is CN1CCC(c2cc(CN3CCCCC3)ncn2)CC1.
What is the InChIKey of 4-(1-methylpiperidin-4-yl)-6-(piperidin-1-ylmethyl)pyrimidine?
The InChIKey is SNAIOKPDIKEVFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4/c1-19-9-5-14(6-10-19)16-11-15(17-13-18-16)12-20-7-3-2-4-8-20/h11,13-14H,2-10,12H2,1H3.
What are the key properties of 4-(1-methylpiperidin-4-yl)-6-(piperidin-1-ylmethyl)pyrimidine?
4-(1-methylpiperidin-4-yl)-6-(piperidin-1-ylmethyl)pyrimidine has a molecular weight of 274.41 g/mol, XLogP of 2.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpiperidin-4-yl)-6-(piperidin-1-ylmethyl)pyrimidine is sourced from PubChem (CID 172524123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).