N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine

C19H26N4O — CID 171328544

IUPACN-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
SMILESCOc1cccc(CN2CCC(N(C)c3ncc(C)cn3)CC2)c1
InChIInChI=1S/C19H26N4O/c1-15-12-20-19(21-13-15)22(2)17-7-9-23(10-8-17)14-16-5-4-6-18(11-16)24-3/h4-6,11-13,17H,7-10,14H2,1-3H3
InChIKeyJGHZKXNDBWXMBO-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.89
Rot. Bonds5

About N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine

N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine (PubChem CID 171328544) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
PubChem CID171328544
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC NameN-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
SMILESCOc1cccc(CN2CCC(N(C)c3ncc(C)cn3)CC2)c1
InChIInChI=1S/C19H26N4O/c1-15-12-20-19(21-13-15)22(2)17-7-9-23(10-8-17)14-16-5-4-6-18(11-16)24-3/h4-6,11-13,17H,7-10,14H2,1-3H3
InChIKeyJGHZKXNDBWXMBO-UHFFFAOYSA-N
XLogP2.89
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 171328758
N,5-dimethyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]pyrimidin-2-amine
CID 171328091
4-chloro-1-[(3-methoxyphenyl)methyl]piperidine
CID 63389704
N-[1-[(2-bromophenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine
CID 171328729
4-(1-bromoethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 106838408
2-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]propan-2-ol
CID 172900058
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46048365
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-amine
CID 24904638
1-(1-benzylpiperidin-4-yl)-4-[(3-methoxyphenyl)methyl]piperazine
CID 1148292
5-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-3-methyl-1,2,4-oxadiazole
CID 75462107
4-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]phenol
CID 78833986
(3R)-1-[(3-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 63365148

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine?
The IUPAC name of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine (CID 171328544) is N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine.
What is the SMILES notation for N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine?
The canonical SMILES for N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine is COc1cccc(CN2CCC(N(C)c3ncc(C)cn3)CC2)c1.
What is the InChIKey of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine?
The InChIKey is JGHZKXNDBWXMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-15-12-20-19(21-13-15)22(2)17-7-9-23(10-8-17)14-16-5-4-6-18(11-16)24-3/h4-6,11-13,17H,7-10,14H2,1-3H3.
What are the key properties of N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine?
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine has a molecular weight of 326.44 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-N,5-dimethylpyrimidin-2-amine is sourced from PubChem (CID 171328544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).