1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol

C15H23ClN2O2 — CID 114847553

IUPAC1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol
SMILESCOCCNCc1ccc(Cl)cc1N1CCC(O)CC1
InChIInChI=1S/C15H23ClN2O2/c1-20-9-6-17-11-12-2-3-13(16)10-15(12)18-7-4-14(19)5-8-18/h2-3,10,14,17,19H,4-9,11H2,1H3
InChIKeyDILMKLIFBHGJAK-UHFFFAOYSA-N
MW298.81 g/mol
LogP2.04
Rot. Bonds6

About 1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol

1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol (PubChem CID 114847553) has the molecular formula C15H23ClN2O2 and a molecular weight of 298.81 g/mol. Its IUPAC name is 1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol
PubChem CID114847553
Molecular FormulaC15H23ClN2O2
Molecular Weight298.81 g/mol
Exact Mass298.14
IUPAC Name1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol
SMILESCOCCNCc1ccc(Cl)cc1N1CCC(O)CC1
InChIInChI=1S/C15H23ClN2O2/c1-20-9-6-17-11-12-2-3-13(16)10-15(12)18-7-4-14(19)5-8-18/h2-3,10,14,17,19H,4-9,11H2,1H3
InChIKeyDILMKLIFBHGJAK-UHFFFAOYSA-N
XLogP2.04
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.81
LogP ≤ 52.04
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

N-[[4-chloro-2-(3-methoxypyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 103535869
N-[[4-chloro-2-(3-ethylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114853476
N-[[4-chloro-2-(3-propan-2-ylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114853448
N-[[4-chloro-2-(3,4-dimethylpiperazin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114851246
N-[[4-chloro-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]methyl]propan-1-amine
CID 114851547
N-[[4-chloro-2-(2-methylpyrrolidin-1-yl)phenyl]methyl]-2-methoxyethanamine
CID 114848658
[4-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]morpholin-2-yl]methanol
CID 114852870
[1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 114848738
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]propan-1-amine
CID 103499433
N-[[4-chloro-2-(4-propan-2-ylpiperidin-1-yl)phenyl]methyl]ethanamine
CID 103499371
1-[5-bromo-2-(propylaminomethyl)phenyl]piperidin-4-ol
CID 43281090
1-[4-chloro-2-[4-(methoxymethyl)piperidin-1-yl]phenyl]-N-methylmethanamine
CID 114851558

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol?
The IUPAC name of 1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol (CID 114847553) is 1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol is COCCNCc1ccc(Cl)cc1N1CCC(O)CC1.
What is the InChIKey of 1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol?
The InChIKey is DILMKLIFBHGJAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O2/c1-20-9-6-17-11-12-2-3-13(16)10-15(12)18-7-4-14(19)5-8-18/h2-3,10,14,17,19H,4-9,11H2,1H3.
What are the key properties of 1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol?
1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol has a molecular weight of 298.81 g/mol, XLogP of 2.04, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-2-[(2-methoxyethylamino)methyl]phenyl]piperidin-4-ol is sourced from PubChem (CID 114847553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).