N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

C16H23N5 — CID 100675626

IUPACN-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCn1cnc(CNC2CCN(Cc3ccccn3)CC2)c1
InChIInChI=1S/C16H23N5/c1-20-11-16(19-13-20)10-18-14-5-8-21(9-6-14)12-15-4-2-3-7-17-15/h2-4,7,11,13-14,18H,5-6,8-10,12H2,1H3
InChIKeyQMEWIELUGJACQM-UHFFFAOYSA-N
MW285.39 g/mol
LogP1.57
Rot. Bonds5

About N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine

N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (PubChem CID 100675626) has the molecular formula C16H23N5 and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
PubChem CID100675626
Molecular FormulaC16H23N5
Molecular Weight285.39 g/mol
Exact Mass285.20
IUPAC NameN-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
SMILESCn1cnc(CNC2CCN(Cc3ccccn3)CC2)c1
InChIInChI=1S/C16H23N5/c1-20-11-16(19-13-20)10-18-14-5-8-21(9-6-14)12-15-4-2-3-7-17-15/h2-4,7,11,13-14,18H,5-6,8-10,12H2,1H3
InChIKeyQMEWIELUGJACQM-UHFFFAOYSA-N
XLogP1.57
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 78921206
N'-[1-(pyridin-2-ylmethyl)piperidin-4-yl]ethane-1,2-diamine
CID 142667116
1-butyl-N-(pyridin-2-ylmethyl)piperidin-4-amine
CID 43748322
N-[[5-(dimethylamino)-1,3-dimethylpyrazol-4-yl]methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 51105129
1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65072640
1-methyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65071092
N,N-dimethyl-5-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-1,3-thiazol-2-amine
CID 53498601
N-[(2,3-dimethoxyphenyl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine
CID 47052476
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
N-[1-(pyridin-2-ylmethyl)piperidin-4-yl]methanesulfonamide
CID 47140421
1-cyclobutyl-2-methyl-3-[1-(pyridin-2-ylmethyl)piperidin-4-yl]guanidine;hydroiodide
CID 119153797
1-[2-[[[1-(pyridin-2-ylmethyl)piperidin-4-yl]amino]methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl]ethanone
CID 70744823

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The IUPAC name of N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine (CID 100675626) is N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is Cn1cnc(CNC2CCN(Cc3ccccn3)CC2)c1.
What is the InChIKey of N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
The InChIKey is QMEWIELUGJACQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5/c1-20-11-16(19-13-20)10-18-14-5-8-21(9-6-14)12-15-4-2-3-7-17-15/h2-4,7,11,13-14,18H,5-6,8-10,12H2,1H3.
What are the key properties of N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine?
N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine has a molecular weight of 285.39 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-4-yl)methyl]-1-(pyridin-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 100675626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).