[1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

C23H32N4O — CID 133406867

IUPAC[1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(N3CCCCC3CCc3ccccc3)ncn2)C1
InChIInChI=1S/C23H32N4O/c28-17-20-9-6-13-26(16-20)22-15-23(25-18-24-22)27-14-5-4-10-21(27)12-11-19-7-2-1-3-8-19/h1-3,7-8,15,18,20-21,28H,4-6,9-14,16-17H2
InChIKeyAZUPPKGPFMGAKV-UHFFFAOYSA-N
MW380.54 g/mol
LogP3.68
Rot. Bonds6

About [1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133406867) has the molecular formula C23H32N4O and a molecular weight of 380.54 g/mol. Its IUPAC name is [1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID133406867
Molecular FormulaC23H32N4O
Molecular Weight380.54 g/mol
Exact Mass380.26
IUPAC Name[1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(N3CCCCC3CCc3ccccc3)ncn2)C1
InChIInChI=1S/C23H32N4O/c28-17-20-9-6-13-26(16-20)22-15-23(25-18-24-22)27-14-5-4-10-21(27)12-11-19-7-2-1-3-8-19/h1-3,7-8,15,18,20-21,28H,4-6,9-14,16-17H2
InChIKeyAZUPPKGPFMGAKV-UHFFFAOYSA-N
XLogP3.68
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 120963862
(3R)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]-N-phenylpiperidine-3-carboxamide
CID 124857501
[1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133454449
(3S)-1-[6-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 95763836
[(2R)-1-[6-[(3R)-3-pyrrolidin-1-ylpyrrolidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 100838350
2-(2-chlorophenyl)-1-[4-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 133299005
3-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]-1-phenylbutan-2-ol
CID 133400187
[1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133299161
[1-[6-[(1-benzylpiperidin-2-yl)methylamino]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 133299300
[(2S)-1-[6-[4-[2-(dimethylamino)ethyl]piperidin-1-yl]pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 95763994
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133453880
(3R)-N-cyclopropyl-1-[6-[(2R)-2-(hydroxymethyl)pyrrolidin-1-yl]pyrimidin-4-yl]piperidine-3-carboxamide
CID 100838344

Frequently Asked Questions

What is the IUPAC name of [1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133406867) is [1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is OCC1CCCN(c2cc(N3CCCCC3CCc3ccccc3)ncn2)C1.
What is the InChIKey of [1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is AZUPPKGPFMGAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O/c28-17-20-9-6-13-26(16-20)22-15-23(25-18-24-22)27-14-5-4-10-21(27)12-11-19-7-2-1-3-8-19/h1-3,7-8,15,18,20-21,28H,4-6,9-14,16-17H2.
What are the key properties of [1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 380.54 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[2-(2-phenylethyl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133406867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).