[1-[6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

C23H32N4O2 — CID 133297387

IUPAC[1-[6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCc1ccc(OC2CCN(c3cc(N4CCCC(CO)C4)ncn3)CC2)cc1C
InChIInChI=1S/C23H32N4O2/c1-17-5-6-21(12-18(17)2)29-20-7-10-26(11-8-20)22-13-23(25-16-24-22)27-9-3-4-19(14-27)15-28/h5-6,12-13,16,19-20,28H,3-4,7-11,14-15H2,1-2H3
InChIKeyCHSAKCHEOOGBKE-UHFFFAOYSA-N
MW396.54 g/mol
LogP3.35
Rot. Bonds5

About [1-[6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133297387) has the molecular formula C23H32N4O2 and a molecular weight of 396.54 g/mol. Its IUPAC name is [1-[6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID133297387
Molecular FormulaC23H32N4O2
Molecular Weight396.54 g/mol
Exact Mass396.25
IUPAC Name[1-[6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESCc1ccc(OC2CCN(c3cc(N4CCCC(CO)C4)ncn3)CC2)cc1C
InChIInChI=1S/C23H32N4O2/c1-17-5-6-21(12-18(17)2)29-20-7-10-26(11-8-20)22-13-23(25-16-24-22)27-9-3-4-19(14-27)15-28/h5-6,12-13,16,19-20,28H,3-4,7-11,14-15H2,1-2H3
InChIKeyCHSAKCHEOOGBKE-UHFFFAOYSA-N
XLogP3.35
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[1-[6-[4-(2,6-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297380
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 120963862
[1-[6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133348274
[1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133300724
[1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133299161
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 133305541
[1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133454449
4-[1-[6-(3-methylpiperidin-1-yl)pyrimidin-4-yl]piperidin-4-yl]oxypyridine-2-carboxamide
CID 133444237
[1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 66570083
[(3R)-1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 86331729
4-[4-(3,4-dimethylphenoxy)piperidin-1-yl]-1-methylpyrazolo[5,4-d]pyrimidine
CID 86808264
[1-(5-amino-4-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79172728

Frequently Asked Questions

What is the IUPAC name of [1-[6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133297387) is [1-[6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is Cc1ccc(OC2CCN(c3cc(N4CCCC(CO)C4)ncn3)CC2)cc1C.
What is the InChIKey of [1-[6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is CHSAKCHEOOGBKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32N4O2/c1-17-5-6-21(12-18(17)2)29-20-7-10-26(11-8-20)22-13-23(25-16-24-22)27-9-3-4-19(14-27)15-28/h5-6,12-13,16,19-20,28H,3-4,7-11,14-15H2,1-2H3.
What are the key properties of [1-[6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 396.54 g/mol, XLogP of 3.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[4-(3,4-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133297387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).