2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol

C14H21ClN2O2 — CID 82696145

IUPAC2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol
SMILESNc1cc(CN2CCC(OCCO)CC2)ccc1Cl
InChIInChI=1S/C14H21ClN2O2/c15-13-2-1-11(9-14(13)16)10-17-5-3-12(4-6-17)19-8-7-18/h1-2,9,12,18H,3-8,10,16H2
InChIKeyDMGCHTJHUOGTAR-UHFFFAOYSA-N
MW284.79 g/mol
LogP1.90
Rot. Bonds5

About 2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol

2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol (PubChem CID 82696145) has the molecular formula C14H21ClN2O2 and a molecular weight of 284.79 g/mol. Its IUPAC name is 2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol.

Molecular Properties

Compound Name2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol
PubChem CID82696145
Molecular FormulaC14H21ClN2O2
Molecular Weight284.79 g/mol
Exact Mass284.13
IUPAC Name2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol
SMILESNc1cc(CN2CCC(OCCO)CC2)ccc1Cl
InChIInChI=1S/C14H21ClN2O2/c15-13-2-1-11(9-14(13)16)10-17-5-3-12(4-6-17)19-8-7-18/h1-2,9,12,18H,3-8,10,16H2
InChIKeyDMGCHTJHUOGTAR-UHFFFAOYSA-N
XLogP1.90
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.79
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-5-[(4-ethoxypiperidin-1-yl)methyl]aniline
CID 61219359
1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-ol
CID 43169013
(3-amino-4-chlorophenyl)-[4-(2-hydroxyethoxy)piperidin-1-yl]methanone
CID 82696199
1-[(3-amino-4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 43169014
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]benzenecarboximidamide
CID 82696529
3-[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 83233579
2-[1-[(2-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxyethanol
CID 106869305
3-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]oxypropanoic acid
CID 106818963
2-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]oxyethanol
CID 114858092
2-[1-[(4-chloro-3-fluorophenyl)methyl]piperidin-4-yl]oxyacetic acid
CID 65065469
4-[[4-(2-hydroxyethoxy)piperidin-1-yl]methyl]-2-methoxybenzonitrile
CID 106788298
2-[1-[(2-amino-6-bromophenyl)methyl]piperidin-4-yl]oxyethanol
CID 82696390

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol?
The IUPAC name of 2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol (CID 82696145) is 2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol.
What is the SMILES notation for 2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol?
The canonical SMILES for 2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol is Nc1cc(CN2CCC(OCCO)CC2)ccc1Cl.
What is the InChIKey of 2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol?
The InChIKey is DMGCHTJHUOGTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O2/c15-13-2-1-11(9-14(13)16)10-17-5-3-12(4-6-17)19-8-7-18/h1-2,9,12,18H,3-8,10,16H2.
What are the key properties of 2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol?
2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol has a molecular weight of 284.79 g/mol, XLogP of 1.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(3-amino-4-chlorophenyl)methyl]piperidin-4-yl]oxyethanol is sourced from PubChem (CID 82696145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).