(4-nitrophenyl)-piperidin-2-ylmethanol

C12H16N2O3 — CID 68538159

IUPAC(4-nitrophenyl)-piperidin-2-ylmethanol
SMILESO=[N+]([O-])c1ccc(C(O)C2CCCCN2)cc1
InChIInChI=1S/C12H16N2O3/c15-12(11-3-1-2-8-13-11)9-4-6-10(7-5-9)14(16)17/h4-7,11-13,15H,1-3,8H2
InChIKeyRTCGLLRSUHYWBV-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.77
Rot. Bonds3

About (4-nitrophenyl)-piperidin-2-ylmethanol

(4-nitrophenyl)-piperidin-2-ylmethanol (PubChem CID 68538159) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is (4-nitrophenyl)-piperidin-2-ylmethanol.

Molecular Properties

Compound Name(4-nitrophenyl)-piperidin-2-ylmethanol
PubChem CID68538159
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name(4-nitrophenyl)-piperidin-2-ylmethanol
SMILESO=[N+]([O-])c1ccc(C(O)C2CCCCN2)cc1
InChIInChI=1S/C12H16N2O3/c15-12(11-3-1-2-8-13-11)9-4-6-10(7-5-9)14(16)17/h4-7,11-13,15H,1-3,8H2
InChIKeyRTCGLLRSUHYWBV-UHFFFAOYSA-N
XLogP1.77
TPSA75.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.77
H-Bond Donors ≤ 52
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

methyl (2R)-2-(4-nitrophenyl)-2-[(2R)-piperidin-2-yl]acetate
CID 52948756
(1R)-2-(4-nitrophenyl)-1-[(2S)-pyrrolidin-2-yl]ethanol
CID 73331845
(2R)-2-[(S)-hydroxy-(4-nitrophenyl)methyl]cyclohexan-1-one
CID 11615750
(S)-(4-methylphenyl)-[(2R)-pyrrolidin-2-yl]methanol
CID 39238470
ethane;(4-methylphenyl)-pyrrolidin-2-ylmethanol
CID 142507494
(2S)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]cyclobutan-1-one
CID 11276065
(2R)-2-[(R)-hydroxy-(4-nitrophenyl)methyl]cyclobutan-1-one
CID 11195383
N-methyl-1-(4-nitrophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106623067
(S)-(4-tert-butylphenyl)-[(2R)-pyrrolidin-2-yl]methanol;hydrochloride
CID 135313112
bis(4-nitrophenyl)methanol
CID 12768612
ethane;(4-methoxyphenyl)-pyrrolidin-2-ylmethanol
CID 142507524
2-cyclopentyl-2-(4-nitrophenyl)acetic acid
CID 67078544

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl)-piperidin-2-ylmethanol?
The IUPAC name of (4-nitrophenyl)-piperidin-2-ylmethanol (CID 68538159) is (4-nitrophenyl)-piperidin-2-ylmethanol.
What is the SMILES notation for (4-nitrophenyl)-piperidin-2-ylmethanol?
The canonical SMILES for (4-nitrophenyl)-piperidin-2-ylmethanol is O=[N+]([O-])c1ccc(C(O)C2CCCCN2)cc1.
What is the InChIKey of (4-nitrophenyl)-piperidin-2-ylmethanol?
The InChIKey is RTCGLLRSUHYWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c15-12(11-3-1-2-8-13-11)9-4-6-10(7-5-9)14(16)17/h4-7,11-13,15H,1-3,8H2.
What are the key properties of (4-nitrophenyl)-piperidin-2-ylmethanol?
(4-nitrophenyl)-piperidin-2-ylmethanol has a molecular weight of 236.27 g/mol, XLogP of 1.77, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitrophenyl)-piperidin-2-ylmethanol is sourced from PubChem (CID 68538159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).