[1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

C19H25ClN6O — CID 133299161

IUPAC[1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(N3CCN(c4ccc(Cl)cn4)CC3)ncn2)C1
InChIInChI=1S/C19H25ClN6O/c20-16-3-4-17(21-11-16)24-6-8-25(9-7-24)18-10-19(23-14-22-18)26-5-1-2-15(12-26)13-27/h3-4,10-11,14-15,27H,1-2,5-9,12-13H2
InChIKeyYYKSWWRZFXYEBV-UHFFFAOYSA-N
MW388.90 g/mol
LogP2.06
Rot. Bonds4

About [1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol

[1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (PubChem CID 133299161) has the molecular formula C19H25ClN6O and a molecular weight of 388.90 g/mol. Its IUPAC name is [1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
PubChem CID133299161
Molecular FormulaC19H25ClN6O
Molecular Weight388.90 g/mol
Exact Mass388.18
IUPAC Name[1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
SMILESOCC1CCCN(c2cc(N3CCN(c4ccc(Cl)cn4)CC3)ncn2)C1
InChIInChI=1S/C19H25ClN6O/c20-16-3-4-17(21-11-16)24-6-8-25(9-7-24)18-10-19(23-14-22-18)26-5-1-2-15(12-26)13-27/h3-4,10-11,14-15,27H,1-2,5-9,12-13H2
InChIKeyYYKSWWRZFXYEBV-UHFFFAOYSA-N
XLogP2.06
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.90
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[1-[6-[4-[(5-chloro-2-pyridinyl)methyl]piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133465663
1-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 120963862
2-[3-(2-bromoethyl)piperidin-1-yl]-5-chloropyridine
CID 80679523
[1-[6-[3-(azepan-1-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133454449
2-(2-chlorophenyl)-1-[4-[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 133299005
[1-[6-[4-(3-fluoro-4-methoxyphenyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133348274
5-chloro-2-[3-[(4-methylpiperidin-1-yl)methyl]piperidin-1-yl]pyridine
CID 133447371
1-[[1-(5-chloro-2-pyridinyl)piperidin-3-yl]methyl]-4-methylpiperazine
CID 75374268
[1-[6-[4-(2-methylpyrazol-3-yl)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133300724
[1-[6-[4-(2,6-dimethylphenoxy)piperidin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol
CID 133297380
1-(3,5-dichlorophenyl)-2-[[6-[3-(hydroxymethyl)piperidin-1-yl]pyrimidin-4-yl]amino]ethanol
CID 133308102
[1-[6-(diethylamino)pyrimidin-4-yl]piperidin-3-yl]methanol
CID 66570083

Frequently Asked Questions

What is the IUPAC name of [1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The IUPAC name of [1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol (CID 133299161) is [1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is OCC1CCCN(c2cc(N3CCN(c4ccc(Cl)cn4)CC3)ncn2)C1.
What is the InChIKey of [1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
The InChIKey is YYKSWWRZFXYEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN6O/c20-16-3-4-17(21-11-16)24-6-8-25(9-7-24)18-10-19(23-14-22-18)26-5-1-2-15(12-26)13-27/h3-4,10-11,14-15,27H,1-2,5-9,12-13H2.
What are the key properties of [1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol?
[1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol has a molecular weight of 388.90 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[6-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]pyrimidin-4-yl]piperidin-3-yl]methanol is sourced from PubChem (CID 133299161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).