4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol

C14H20N2O3 — CID 102959518

IUPAC4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol
SMILESCC1CCN(CCc2ccccc2[N+](=O)[O-])CC1O
InChIInChI=1S/C14H20N2O3/c1-11-6-8-15(10-14(11)17)9-7-12-4-2-3-5-13(12)16(18)19/h2-5,11,14,17H,6-10H2,1H3
InChIKeyLQEHSICTKOYVGR-UHFFFAOYSA-N
MW264.32 g/mol
LogP1.84
Rot. Bonds4

About 4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol

4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol (PubChem CID 102959518) has the molecular formula C14H20N2O3 and a molecular weight of 264.32 g/mol. Its IUPAC name is 4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol.

Molecular Properties

Compound Name4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol
PubChem CID102959518
Molecular FormulaC14H20N2O3
Molecular Weight264.32 g/mol
Exact Mass264.15
IUPAC Name4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol
SMILESCC1CCN(CCc2ccccc2[N+](=O)[O-])CC1O
InChIInChI=1S/C14H20N2O3/c1-11-6-8-15(10-14(11)17)9-7-12-4-2-3-5-13(12)16(18)19/h2-5,11,14,17H,6-10H2,1H3
InChIKeyLQEHSICTKOYVGR-UHFFFAOYSA-N
XLogP1.84
TPSA66.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3-hydroxy-4-methylpiperidin-1-yl)-2-(2-nitrophenyl)ethanone
CID 103900487
2-[(3-hydroxy-4-methylpiperidin-1-yl)methyl]-6-nitrobenzoic acid
CID 102959385
(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-ol
CID 56790457
1-[(2-chloro-6-nitrophenyl)methyl]-4-methylpiperidin-3-ol
CID 104953057
[1-[2-(2-nitrophenyl)ethyl]piperidin-3-yl]methanamine
CID 63061791
2-[1-[2-(2-nitrophenyl)ethyl]piperidin-3-yl]acetic acid
CID 63062464
1-[2-(2-nitrophenyl)ethyl]-3,6-dihydro-2H-pyridine
CID 57092279
N-methyl-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905707
3-methyl-1-[(2-nitrophenyl)methylsulfonyl]piperidin-4-ol
CID 114680569
1-[(3-amino-4-nitrophenyl)methyl]-4-methylpiperidin-3-ol
CID 102966676
(3S)-1-[(2S)-2-[methyl-[2-(2-nitrophenyl)ethyl]amino]-2-phenylethyl]pyrrolidin-3-ol
CID 144767871
(3R)-1-[(2-nitrophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119905304

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol?
The IUPAC name of 4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol (CID 102959518) is 4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol.
What is the SMILES notation for 4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol?
The canonical SMILES for 4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol is CC1CCN(CCc2ccccc2[N+](=O)[O-])CC1O.
What is the InChIKey of 4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol?
The InChIKey is LQEHSICTKOYVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3/c1-11-6-8-15(10-14(11)17)9-7-12-4-2-3-5-13(12)16(18)19/h2-5,11,14,17H,6-10H2,1H3.
What are the key properties of 4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol?
4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol has a molecular weight of 264.32 g/mol, XLogP of 1.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[2-(2-nitrophenyl)ethyl]piperidin-3-ol is sourced from PubChem (CID 102959518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).