3-[[3-[(2-piperidin-1-ylpyrimidin-5-yl)methylamino]piperidin-1-yl]methyl]phenol

C22H31N5O — CID 131946815

IUPAC3-[[3-[(2-piperidin-1-ylpyrimidin-5-yl)methylamino]piperidin-1-yl]methyl]phenol
SMILESOc1cccc(CN2CCCC(NCc3cnc(N4CCCCC4)nc3)C2)c1
InChIInChI=1S/C22H31N5O/c28-21-8-4-6-18(12-21)16-26-9-5-7-20(17-26)23-13-19-14-24-22(25-15-19)27-10-2-1-3-11-27/h4,6,8,12,14-15,20,23,28H,1-3,5,7,9-11,13,16-17H2
InChIKeyNBQQCDWCRDBSHO-UHFFFAOYSA-N
MW381.52 g/mol
LogP2.93
Rot. Bonds6

About 3-[[3-[(2-piperidin-1-ylpyrimidin-5-yl)methylamino]piperidin-1-yl]methyl]phenol

3-[[3-[(2-piperidin-1-ylpyrimidin-5-yl)methylamino]piperidin-1-yl]methyl]phenol (PubChem CID 131946815) has the molecular formula C22H31N5O and a molecular weight of 381.52 g/mol. Its IUPAC name is 3-[[3-[(2-piperidin-1-ylpyrimidin-5-yl)methylamino]piperidin-1-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[3-[(2-piperidin-1-ylpyrimidin-5-yl)methylamino]piperidin-1-yl]methyl]phenol
PubChem CID131946815
Molecular FormulaC22H31N5O
Molecular Weight381.52 g/mol
Exact Mass381.25
IUPAC Name3-[[3-[(2-piperidin-1-ylpyrimidin-5-yl)methylamino]piperidin-1-yl]methyl]phenol
SMILESOc1cccc(CN2CCCC(NCc3cnc(N4CCCCC4)nc3)C2)c1
InChIInChI=1S/C22H31N5O/c28-21-8-4-6-18(12-21)16-26-9-5-7-20(17-26)23-13-19-14-24-22(25-15-19)27-10-2-1-3-11-27/h4,6,8,12,14-15,20,23,28H,1-3,5,7,9-11,13,16-17H2
InChIKeyNBQQCDWCRDBSHO-UHFFFAOYSA-N
XLogP2.93
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[3-[(2-piperidin-1-ylpyrimidin-5-yl)methylamino]piperidin-1-yl]methyl]phenol with MolForge

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Related Compounds

3-[[3-[(3-methylsulfanylphenyl)methylamino]piperidin-1-yl]methyl]phenol
CID 131929815
3-[[3-[[4-(azepan-1-yl)pyrimidin-2-yl]amino]piperidin-1-yl]methyl]phenol
CID 23086371
N-[[2-(azepan-1-yl)pyrimidin-5-yl]methyl]cyclopropanamine
CID 55113924
(3R)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-ol
CID 92567647
1-[(3-hydroxyphenyl)methyl]piperidine-3-carboxylic acid
CID 24904650
N-[(3S)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-methylpyrimidine-5-carboxamide
CID 125168473
(3S)-N-benzyl-1-[(3-fluorophenyl)methyl]piperidin-3-amine
CID 97082368
3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenol
CID 70461714
3-[5-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-7-yl]phenol
CID 165422483
3-[(cyclobutylamino)methyl]phenol
CID 62416890
N-[(3R)-1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 125176454
3-[[1-[(3-hydroxyphenyl)methyl]piperidin-3-yl]carbamoylamino]propanoic acid
CID 131934062

Frequently Asked Questions

What is the IUPAC name of 3-[[3-[(2-piperidin-1-ylpyrimidin-5-yl)methylamino]piperidin-1-yl]methyl]phenol?
The IUPAC name of 3-[[3-[(2-piperidin-1-ylpyrimidin-5-yl)methylamino]piperidin-1-yl]methyl]phenol (CID 131946815) is 3-[[3-[(2-piperidin-1-ylpyrimidin-5-yl)methylamino]piperidin-1-yl]methyl]phenol.
What is the SMILES notation for 3-[[3-[(2-piperidin-1-ylpyrimidin-5-yl)methylamino]piperidin-1-yl]methyl]phenol?
The canonical SMILES for 3-[[3-[(2-piperidin-1-ylpyrimidin-5-yl)methylamino]piperidin-1-yl]methyl]phenol is Oc1cccc(CN2CCCC(NCc3cnc(N4CCCCC4)nc3)C2)c1.
What is the InChIKey of 3-[[3-[(2-piperidin-1-ylpyrimidin-5-yl)methylamino]piperidin-1-yl]methyl]phenol?
The InChIKey is NBQQCDWCRDBSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O/c28-21-8-4-6-18(12-21)16-26-9-5-7-20(17-26)23-13-19-14-24-22(25-15-19)27-10-2-1-3-11-27/h4,6,8,12,14-15,20,23,28H,1-3,5,7,9-11,13,16-17H2.
What are the key properties of 3-[[3-[(2-piperidin-1-ylpyrimidin-5-yl)methylamino]piperidin-1-yl]methyl]phenol?
3-[[3-[(2-piperidin-1-ylpyrimidin-5-yl)methylamino]piperidin-1-yl]methyl]phenol has a molecular weight of 381.52 g/mol, XLogP of 2.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-[(2-piperidin-1-ylpyrimidin-5-yl)methylamino]piperidin-1-yl]methyl]phenol is sourced from PubChem (CID 131946815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).