(4-chlorophenyl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]methanol

C18H20ClN3O3 — CID 133339156

IUPAC(4-chlorophenyl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]methanol
SMILESCc1cc(N2CCC(C(O)c3ccc(Cl)cc3)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C18H20ClN3O3/c1-12-10-17(20-11-16(12)22(24)25)21-8-6-14(7-9-21)18(23)13-2-4-15(19)5-3-13/h2-5,10-11,14,18,23H,6-9H2,1H3
InChIKeyRIMZYNUPPRWNFT-UHFFFAOYSA-N
MW361.83 g/mol
LogP3.90
Rot. Bonds4

About (4-chlorophenyl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]methanol

(4-chlorophenyl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]methanol (PubChem CID 133339156) has the molecular formula C18H20ClN3O3 and a molecular weight of 361.83 g/mol. Its IUPAC name is (4-chlorophenyl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]methanol
PubChem CID133339156
Molecular FormulaC18H20ClN3O3
Molecular Weight361.83 g/mol
Exact Mass361.12
IUPAC Name(4-chlorophenyl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]methanol
SMILESCc1cc(N2CCC(C(O)c3ccc(Cl)cc3)CC2)ncc1[N+](=O)[O-]
InChIInChI=1S/C18H20ClN3O3/c1-12-10-17(20-11-16(12)22(24)25)21-8-6-14(7-9-21)18(23)13-2-4-15(19)5-3-13/h2-5,10-11,14,18,23H,6-9H2,1H3
InChIKeyRIMZYNUPPRWNFT-UHFFFAOYSA-N
XLogP3.90
TPSA79.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-[1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 103976623
N-(3-chloro-4-fluorophenyl)-1-(4-methyl-5-nitro-2-pyridinyl)piperidine-4-carboxamide
CID 133339526
(4-chlorophenyl)-[1-[5-(hydroxymethyl)-2-nitrophenyl]piperidin-4-yl]methanol
CID 133437706
(4-chlorophenyl)-[1-(3-ethyl-1-methyl-4-nitropyrazol-5-yl)piperidin-4-yl]methanol
CID 133441485
1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 79173009
(3R)-N-ethyl-N-methyl-1-(4-methyl-5-nitro-2-pyridinyl)pyrrolidin-3-amine
CID 99791620
[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl] carbamate
CID 155355830
3-[methyl-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]amino]propan-1-ol
CID 133339668
(4-chlorophenyl)-[1-[3-(difluoromethoxy)-4-nitrophenyl]piperidin-4-yl]methanol
CID 133321404
2-[6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-3-pyridinyl]-4-ethyl-1H-pyrimidin-6-one
CID 137268371
1-(4-methylcyclohexyl)-4-(4-methyl-5-nitro-2-pyridinyl)piperazine
CID 133339662
(1-methylimidazol-2-yl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-3-yl]methanol
CID 133384407

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]methanol?
The IUPAC name of (4-chlorophenyl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]methanol (CID 133339156) is (4-chlorophenyl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]methanol.
What is the SMILES notation for (4-chlorophenyl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]methanol?
The canonical SMILES for (4-chlorophenyl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]methanol is Cc1cc(N2CCC(C(O)c3ccc(Cl)cc3)CC2)ncc1[N+](=O)[O-].
What is the InChIKey of (4-chlorophenyl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]methanol?
The InChIKey is RIMZYNUPPRWNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O3/c1-12-10-17(20-11-16(12)22(24)25)21-8-6-14(7-9-21)18(23)13-2-4-15(19)5-3-13/h2-5,10-11,14,18,23H,6-9H2,1H3.
What are the key properties of (4-chlorophenyl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]methanol?
(4-chlorophenyl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]methanol has a molecular weight of 361.83 g/mol, XLogP of 3.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[1-(4-methyl-5-nitro-2-pyridinyl)piperidin-4-yl]methanol is sourced from PubChem (CID 133339156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).