1-[5-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol

C20H27N5O — CID 167796752

IUPAC1-[5-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol
SMILESOC1CCCN(c2ncc(-c3ccc(CN4CCNCC4)cc3)cn2)C1
InChIInChI=1S/C20H27N5O/c26-19-2-1-9-25(15-19)20-22-12-18(13-23-20)17-5-3-16(4-6-17)14-24-10-7-21-8-11-24/h3-6,12-13,19,21,26H,1-2,7-11,14-15H2
InChIKeyGVDFGQRCCIIVFQ-UHFFFAOYSA-N
MW353.47 g/mol
LogP1.51
Rot. Bonds4

About 1-[5-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol

1-[5-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol (PubChem CID 167796752) has the molecular formula C20H27N5O and a molecular weight of 353.47 g/mol. Its IUPAC name is 1-[5-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol.

Molecular Properties

Compound Name1-[5-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol
PubChem CID167796752
Molecular FormulaC20H27N5O
Molecular Weight353.47 g/mol
Exact Mass353.22
IUPAC Name1-[5-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol
SMILESOC1CCCN(c2ncc(-c3ccc(CN4CCNCC4)cc3)cn2)C1
InChIInChI=1S/C20H27N5O/c26-19-2-1-9-25(15-19)20-22-12-18(13-23-20)17-5-3-16(4-6-17)14-24-10-7-21-8-11-24/h3-6,12-13,19,21,26H,1-2,7-11,14-15H2
InChIKeyGVDFGQRCCIIVFQ-UHFFFAOYSA-N
XLogP1.51
TPSA64.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-[4-(2-aminoethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol
CID 167812769
(E)-4-[4-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]phenyl]but-3-enoic acid
CID 167774356
(3R)-1-[(2-piperidin-1-ylpyrimidin-5-yl)methyl]piperidin-3-ol
CID 92567647
2-fluoro-5-[2-(3-hydroxypiperidin-1-yl)pyrimidin-5-yl]benzoic acid
CID 167853631
(3S)-1-[(4-ethylphenyl)methyl]piperidin-3-ol
CID 27055523
1-[5-[5-[2-(aminomethyl)-3-hydroxypropyl]-2-methoxyphenyl]pyrimidin-2-yl]piperidin-3-ol
CID 167744075
1-[[4-[4-(dimethylamino)phenyl]phenyl]methyl]piperidin-3-ol
CID 165424779
(3S)-1-[(1S,9S)-12-[(4-hydroxyphenyl)methyl]-4,6,12-triazatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-5-yl]piperidin-3-ol
CID 124916203
1-[5-[3-[1-hydroxy-2-(methylamino)ethyl]phenyl]pyrimidin-2-yl]piperidin-3-ol
CID 154765649
1,7-bis[(6-chloro-3-pyridinyl)methyl]-1,4,7,10-tetrazacyclododecane
CID 102314847
5-(4-fluorophenyl)-2-piperazin-1-ylpyrimidine;hydrochloride
CID 135146269
1-[(6-amino-3-pyridinyl)methyl]piperidin-3-ol
CID 62207915

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol?
The IUPAC name of 1-[5-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol (CID 167796752) is 1-[5-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol.
What is the SMILES notation for 1-[5-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol?
The canonical SMILES for 1-[5-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol is OC1CCCN(c2ncc(-c3ccc(CN4CCNCC4)cc3)cn2)C1.
What is the InChIKey of 1-[5-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol?
The InChIKey is GVDFGQRCCIIVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O/c26-19-2-1-9-25(15-19)20-22-12-18(13-23-20)17-5-3-16(4-6-17)14-24-10-7-21-8-11-24/h3-6,12-13,19,21,26H,1-2,7-11,14-15H2.
What are the key properties of 1-[5-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol?
1-[5-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol has a molecular weight of 353.47 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[4-(piperazin-1-ylmethyl)phenyl]pyrimidin-2-yl]piperidin-3-ol is sourced from PubChem (CID 167796752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).