3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine

C14H22N4O2 — CID 79719994

IUPAC3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CC1CCNCC1)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-11(2)17(10-12-5-8-15-9-6-12)14-13(18(19)20)4-3-7-16-14/h3-4,7,11-12,15H,5-6,8-10H2,1-2H3
InChIKeyNDDMLIKFUBOILH-UHFFFAOYSA-N
MW278.36 g/mol
LogP2.20
Rot. Bonds5

About 3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine

3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine (PubChem CID 79719994) has the molecular formula C14H22N4O2 and a molecular weight of 278.36 g/mol. Its IUPAC name is 3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine.

Molecular Properties

Compound Name3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
PubChem CID79719994
Molecular FormulaC14H22N4O2
Molecular Weight278.36 g/mol
Exact Mass278.17
IUPAC Name3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
SMILESCC(C)N(CC1CCNCC1)c1ncccc1[N+](=O)[O-]
InChIInChI=1S/C14H22N4O2/c1-11(2)17(10-12-5-8-15-9-6-12)14-13(18(19)20)4-3-7-16-14/h3-4,7,11-12,15H,5-6,8-10H2,1-2H3
InChIKeyNDDMLIKFUBOILH-UHFFFAOYSA-N
XLogP2.20
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.20
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

3-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106643160
N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642416
4-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 79705470
2-[piperidin-4-ylmethyl(propan-2-yl)amino]pyridine-3-carboxamide
CID 79719768
N-methyl-3-nitro-N-[[(3R)-piperidin-3-yl]methyl]pyridin-2-amine
CID 97164455
2-nitro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-3-amine
CID 106643092
N-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620104
N-(piperidin-4-ylmethyl)-N-propan-2-ylpyrimidin-4-amine
CID 79720132
3-nitro-2-piperidin-4-ylsulfonylpyridine
CID 71635613
4-N-methyl-4-N-(3-nitro-2-pyridinyl)cyclohexane-1,4-diamine
CID 79115640
5-iodo-4-[piperidin-4-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136978727
N-(piperidin-4-ylmethyl)-N-propan-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 79719414

Frequently Asked Questions

What is the IUPAC name of 3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The IUPAC name of 3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine (CID 79719994) is 3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine.
What is the SMILES notation for 3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The canonical SMILES for 3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine is CC(C)N(CC1CCNCC1)c1ncccc1[N+](=O)[O-].
What is the InChIKey of 3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
The InChIKey is NDDMLIKFUBOILH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O2/c1-11(2)17(10-12-5-8-15-9-6-12)14-13(18(19)20)4-3-7-16-14/h3-4,7,11-12,15H,5-6,8-10H2,1-2H3.
What are the key properties of 3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine?
3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine has a molecular weight of 278.36 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine is sourced from PubChem (CID 79719994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).