2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol

C17H26N4O3 — CID 133376408

IUPAC2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol
SMILESCc1cc([N+](=O)[O-])cnc1NC1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C17H26N4O3/c1-12-10-14(21(23)24)11-18-17(12)19-13-6-8-20(9-7-13)15-4-2-3-5-16(15)22/h10-11,13,15-16,22H,2-9H2,1H3,(H,18,19)
InChIKeyAYYDTKULOQHXJL-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.48
Rot. Bonds4

About 2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol

2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol (PubChem CID 133376408) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol
PubChem CID133376408
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC Name2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol
SMILESCc1cc([N+](=O)[O-])cnc1NC1CCN(C2CCCCC2O)CC1
InChIInChI=1S/C17H26N4O3/c1-12-10-14(21(23)24)11-18-17(12)19-13-6-8-20(9-7-13)15-4-2-3-5-16(15)22/h10-11,13,15-16,22H,2-9H2,1H3,(H,18,19)
InChIKeyAYYDTKULOQHXJL-UHFFFAOYSA-N
XLogP2.48
TPSA91.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-(3-methyl-5-nitro-2-pyridinyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-7-amine
CID 78951023
3-methyl-1-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]butan-1-one
CID 133305619
N-(3-methoxycyclohexyl)-3-methyl-5-nitropyridin-2-amine
CID 133399425
2-N-(3-methyl-5-nitro-2-pyridinyl)cyclohexane-1,2-diamine
CID 55080985
3-methyl-5-nitro-N-(thiolan-3-yl)pyridin-2-amine
CID 103704257
2-[4-[4-nitro-2-(trifluoromethyl)anilino]piperidin-1-yl]cyclohexan-1-ol
CID 133376347
N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306690
N-cycloheptyl-3,5-dinitropyridin-2-amine
CID 71836620
3-bromo-N-cyclohexyl-5-nitropyridin-2-amine
CID 79535138
N-[(1R,3R)-3-[(S)-ethylsulfinyl]cyclohexyl]-3-methyl-5-nitropyridin-2-amine
CID 129471050
N-cyclopentyl-2-methyl-4-nitroaniline
CID 3683454
N-(3-methyl-5-nitro-2-pyridinyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 133281537

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol?
The IUPAC name of 2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol (CID 133376408) is 2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol is Cc1cc([N+](=O)[O-])cnc1NC1CCN(C2CCCCC2O)CC1.
What is the InChIKey of 2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol?
The InChIKey is AYYDTKULOQHXJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-12-10-14(21(23)24)11-18-17(12)19-13-6-8-20(9-7-13)15-4-2-3-5-16(15)22/h10-11,13,15-16,22H,2-9H2,1H3,(H,18,19).
What are the key properties of 2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol?
2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol has a molecular weight of 334.42 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-methyl-5-nitro-2-pyridinyl)amino]piperidin-1-yl]cyclohexan-1-ol is sourced from PubChem (CID 133376408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).