[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol

C16H26N2O — CID 61407251

IUPAC[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol
SMILESCCNC(C)c1ccc(N2CCCCC2CO)cc1
InChIInChI=1S/C16H26N2O/c1-3-17-13(2)14-7-9-15(10-8-14)18-11-5-4-6-16(18)12-19/h7-10,13,16-17,19H,3-6,11-12H2,1-2H3
InChIKeyPBRLITGDLIDLFD-UHFFFAOYSA-N
MW262.40 g/mol
LogP2.71
Rot. Bonds5

About [1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol

[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol (PubChem CID 61407251) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is [1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol
PubChem CID61407251
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol
SMILESCCNC(C)c1ccc(N2CCCCC2CO)cc1
InChIInChI=1S/C16H26N2O/c1-3-17-13(2)14-7-9-15(10-8-14)18-11-5-4-6-16(18)12-19/h7-10,13,16-17,19H,3-6,11-12H2,1-2H3
InChIKeyPBRLITGDLIDLFD-UHFFFAOYSA-N
XLogP2.71
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-[1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-2-yl]propan-1-ol
CID 62467222
[1-[6-[1-(ethylamino)ethyl]-3-pyridinyl]pyrrolidin-2-yl]methanol
CID 83122489
N-ethyl-1-(4-pyrrolidin-1-ylphenyl)ethanamine
CID 43283918
[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-3-yl]methanol
CID 43590380
[1-[2-fluoro-4-[1-(propylamino)ethyl]phenyl]piperidin-2-yl]methanol
CID 61406406
[1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 62134031
1-[3-chloro-4-(2-ethylpiperidin-1-yl)phenyl]-N-ethylethanamine
CID 63533265
[1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 116635458
[1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol
CID 88585225
1-[4-[1-(ethylamino)ethyl]phenyl]pyrrolidin-3-ol
CID 55130210
[1-[4-[(tert-butylamino)methyl]phenyl]pyrrolidin-2-yl]methanol
CID 63059898
2-ethyl-1-(4-methylphenyl)piperidine
CID 90712958

Frequently Asked Questions

What is the IUPAC name of [1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol?
The IUPAC name of [1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol (CID 61407251) is [1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol.
What is the SMILES notation for [1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol?
The canonical SMILES for [1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol is CCNC(C)c1ccc(N2CCCCC2CO)cc1.
What is the InChIKey of [1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol?
The InChIKey is PBRLITGDLIDLFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-17-13(2)14-7-9-15(10-8-14)18-11-5-4-6-16(18)12-19/h7-10,13,16-17,19H,3-6,11-12H2,1-2H3.
What are the key properties of [1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol?
[1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol has a molecular weight of 262.40 g/mol, XLogP of 2.71, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[4-[1-(ethylamino)ethyl]phenyl]piperidin-2-yl]methanol is sourced from PubChem (CID 61407251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).