1-[3-[(2,5-dichloro-4-methoxyphenyl)methylamino]propyl]piperidin-4-ol

C16H24Cl2N2O2 — CID 109379748

IUPAC1-[3-[(2,5-dichloro-4-methoxyphenyl)methylamino]propyl]piperidin-4-ol
SMILESCOc1cc(Cl)c(CNCCCN2CCC(O)CC2)cc1Cl
InChIInChI=1S/C16H24Cl2N2O2/c1-22-16-10-14(17)12(9-15(16)18)11-19-5-2-6-20-7-3-13(21)4-8-20/h9-10,13,19,21H,2-8,11H2,1H3
InChIKeyNCGHZKXZPPOUPD-UHFFFAOYSA-N
MW347.29 g/mol
LogP2.94
Rot. Bonds7

About 1-[3-[(2,5-dichloro-4-methoxyphenyl)methylamino]propyl]piperidin-4-ol

1-[3-[(2,5-dichloro-4-methoxyphenyl)methylamino]propyl]piperidin-4-ol (PubChem CID 109379748) has the molecular formula C16H24Cl2N2O2 and a molecular weight of 347.29 g/mol. Its IUPAC name is 1-[3-[(2,5-dichloro-4-methoxyphenyl)methylamino]propyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[3-[(2,5-dichloro-4-methoxyphenyl)methylamino]propyl]piperidin-4-ol
PubChem CID109379748
Molecular FormulaC16H24Cl2N2O2
Molecular Weight347.29 g/mol
Exact Mass346.12
IUPAC Name1-[3-[(2,5-dichloro-4-methoxyphenyl)methylamino]propyl]piperidin-4-ol
SMILESCOc1cc(Cl)c(CNCCCN2CCC(O)CC2)cc1Cl
InChIInChI=1S/C16H24Cl2N2O2/c1-22-16-10-14(17)12(9-15(16)18)11-19-5-2-6-20-7-3-13(21)4-8-20/h9-10,13,19,21H,2-8,11H2,1H3
InChIKeyNCGHZKXZPPOUPD-UHFFFAOYSA-N
XLogP2.94
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.29
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(2,5-dichloro-4-methoxyphenyl)methylamino]cyclohexan-1-ol
CID 109379737
4-chloro-2-methoxy-6-[(3-pyrrolidin-1-ylpropylamino)methyl]phenol
CID 104646604
1-[3-[(5-bromo-2-fluorophenyl)methylamino]propyl]piperidin-4-ol
CID 110906464
1-[3-[(4-ethylphenyl)methylamino]propyl]piperidin-4-ol
CID 110906462
1-[3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propyl]piperidin-4-ol
CID 110929429
N-[(3-chloro-4-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine
CID 29241559
1-[3-[(4-chloro-3-nitrophenyl)methylamino]propyl]piperidin-4-ol
CID 110929379
1-[3-[(3-fluoro-4-methylphenyl)methylamino]propyl]piperidin-4-ol
CID 111423520
N-[(5-chloro-2-methoxyphenyl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 6457097
2-chloro-6-[[9-[4-[1-[9-[(3-chloro-5-fluoro-2-hydroxyphenyl)methylamino]nonyl]piperidin-4-yl]oxypiperidin-1-yl]nonylamino]methyl]-4-fluorophenol
CID 142786444
1-[(2,5-dichloro-4-methoxyphenyl)methyl]piperidine-4-carboxylic acid
CID 122035789
4-chloro-2-[[3-(4-methylpiperidin-1-yl)propylamino]methyl]phenol
CID 28679958

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,5-dichloro-4-methoxyphenyl)methylamino]propyl]piperidin-4-ol?
The IUPAC name of 1-[3-[(2,5-dichloro-4-methoxyphenyl)methylamino]propyl]piperidin-4-ol (CID 109379748) is 1-[3-[(2,5-dichloro-4-methoxyphenyl)methylamino]propyl]piperidin-4-ol.
What is the SMILES notation for 1-[3-[(2,5-dichloro-4-methoxyphenyl)methylamino]propyl]piperidin-4-ol?
The canonical SMILES for 1-[3-[(2,5-dichloro-4-methoxyphenyl)methylamino]propyl]piperidin-4-ol is COc1cc(Cl)c(CNCCCN2CCC(O)CC2)cc1Cl.
What is the InChIKey of 1-[3-[(2,5-dichloro-4-methoxyphenyl)methylamino]propyl]piperidin-4-ol?
The InChIKey is NCGHZKXZPPOUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24Cl2N2O2/c1-22-16-10-14(17)12(9-15(16)18)11-19-5-2-6-20-7-3-13(21)4-8-20/h9-10,13,19,21H,2-8,11H2,1H3.
What are the key properties of 1-[3-[(2,5-dichloro-4-methoxyphenyl)methylamino]propyl]piperidin-4-ol?
1-[3-[(2,5-dichloro-4-methoxyphenyl)methylamino]propyl]piperidin-4-ol has a molecular weight of 347.29 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,5-dichloro-4-methoxyphenyl)methylamino]propyl]piperidin-4-ol is sourced from PubChem (CID 109379748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).