4-[[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]amino]butan-1-ol

C19H25ClN4O — CID 70779708

IUPAC4-[[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]amino]butan-1-ol
SMILESOCCCCNc1nccc(C2(c3ccccc3Cl)CCNCC2)n1
InChIInChI=1S/C19H25ClN4O/c20-16-6-2-1-5-15(16)19(8-12-21-13-9-19)17-7-11-23-18(24-17)22-10-3-4-14-25/h1-2,5-7,11,21,25H,3-4,8-10,12-14H2,(H,22,23,24)
InChIKeyMHKQEZXWEBKLQE-UHFFFAOYSA-N
MW360.89 g/mol
LogP2.98
Rot. Bonds7

About 4-[[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]amino]butan-1-ol

4-[[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]amino]butan-1-ol (PubChem CID 70779708) has the molecular formula C19H25ClN4O and a molecular weight of 360.89 g/mol. Its IUPAC name is 4-[[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]amino]butan-1-ol.

Molecular Properties

Compound Name4-[[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]amino]butan-1-ol
PubChem CID70779708
Molecular FormulaC19H25ClN4O
Molecular Weight360.89 g/mol
Exact Mass360.17
IUPAC Name4-[[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]amino]butan-1-ol
SMILESOCCCCNc1nccc(C2(c3ccccc3Cl)CCNCC2)n1
InChIInChI=1S/C19H25ClN4O/c20-16-6-2-1-5-15(16)19(8-12-21-13-9-19)17-7-11-23-18(24-17)22-10-3-4-14-25/h1-2,5-7,11,21,25H,3-4,8-10,12-14H2,(H,22,23,24)
InChIKeyMHKQEZXWEBKLQE-UHFFFAOYSA-N
XLogP2.98
TPSA70.07 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.89
LogP ≤ 52.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Cgp-60474
CID 644215
Pyrazine-Pyridine Biheteroaryl 39
CID 5330388
Vps34-IN-1
CID 57404276
4-[[2-(Butylamino)-5-pyridin-2-ylpyrimidin-4-yl]amino]butan-1-ol
CID 72793043
1-[1-(2-Chlorophenyl)-2-hydroxyethyl]-4-[2-(oxan-4-ylamino)pyrimidin-4-yl]pyridin-2-one
CID 89807999
5-(4-{[(2-Chloropyridin-4-yl)methyl]amino}phenyl)-6-ethylpyrimidine-2,4-diamine
CID 11537683
Pyrazine-Pyridine deriv. 8
CID 5330397
3-[[4-[4-[(3-chlorophenyl)amino]-1,3,5-triazin-2-yl]-2-pyridinyl]amino]-1-Propanol
CID 9863538
2-(4-(4-(4-(2-Aminopropan-2-yl)phenyl)-5-chloropyrimidin-2-ylamino)phenyl)ethanol
CID 9908026
2-[3-(2-Chlorophenyl)piperazin-1-yl]-3-methyl-6-pyrimidin-4-ylpyrimidin-4-one
CID 11349589
N4-{2-[(2-aminopyrimidin-4-yl)amino]ethyl}-6-(3-chlorophenyl)pyrimidine-2,4-diamine
CID 44595856
[2,4a(2)-Bipyridine]-2a(2),6-diamine, N2a(2)-(trans-4-aminocyclohexyl)-5a(2)-chloro-N6-[(tetrahydro-4-methyl-2H-pyran-4-yl)methyl]-
CID 50906397

Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]amino]butan-1-ol?
The IUPAC name of 4-[[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]amino]butan-1-ol (CID 70779708) is 4-[[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]amino]butan-1-ol.
What is the SMILES notation for 4-[[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]amino]butan-1-ol?
The canonical SMILES for 4-[[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]amino]butan-1-ol is OCCCCNc1nccc(C2(c3ccccc3Cl)CCNCC2)n1.
What is the InChIKey of 4-[[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]amino]butan-1-ol?
The InChIKey is MHKQEZXWEBKLQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O/c20-16-6-2-1-5-15(16)19(8-12-21-13-9-19)17-7-11-23-18(24-17)22-10-3-4-14-25/h1-2,5-7,11,21,25H,3-4,8-10,12-14H2,(H,22,23,24).
What are the key properties of 4-[[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]amino]butan-1-ol?
4-[[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]amino]butan-1-ol has a molecular weight of 360.89 g/mol, XLogP of 2.98, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(2-chlorophenyl)piperidin-4-yl]pyrimidin-2-yl]amino]butan-1-ol is sourced from PubChem (CID 70779708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).