2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl carbamate

C13H20N4O2 — CID 83210815

IUPAC2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl carbamate
SMILESNC(=O)OCCNC1CCN(c2ccncc2)CC1
InChIInChI=1S/C13H20N4O2/c14-13(18)19-10-7-16-11-3-8-17(9-4-11)12-1-5-15-6-2-12/h1-2,5-6,11,16H,3-4,7-10H2,(H2,14,18)
InChIKeyJLJFUOYQVQFLOY-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.74
Rot. Bonds5

About 2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl carbamate

2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl carbamate (PubChem CID 83210815) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl carbamate.

Molecular Properties

Compound Name2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl carbamate
PubChem CID83210815
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl carbamate
SMILESNC(=O)OCCNC1CCN(c2ccncc2)CC1
InChIInChI=1S/C13H20N4O2/c14-13(18)19-10-7-16-11-3-8-17(9-4-11)12-1-5-15-6-2-12/h1-2,5-6,11,16H,3-4,7-10H2,(H2,14,18)
InChIKeyJLJFUOYQVQFLOY-UHFFFAOYSA-N
XLogP0.74
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethylurea
CID 83110952
N'-(1-pyridin-4-ylpiperidin-4-yl)butane-1,4-diamine
CID 60895619
N-(3-ethoxypropyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166978
N-(cyclopropylmethyl)-1-pyridin-4-ylpiperidin-4-amine
CID 43166652
N'-[(1-pyridin-4-ylpiperidin-4-yl)methyl]oxamide
CID 86263499
N'-ethyl-N'-methyl-N-(1-pyridin-4-ylpiperidin-4-yl)ethane-1,2-diamine
CID 55097459
2-methyl-3-[(1-pyridin-4-ylpiperidin-4-yl)amino]propan-1-ol
CID 65034705
N-[2-(1H-imidazol-5-yl)ethyl]-1-pyridin-4-ylpiperidin-4-amine
CID 65231968
N-[(2-methylcyclopropyl)methyl]-1-pyridin-4-ylpiperidin-4-amine
CID 113463722
2-methyl-1-[(1-pyridin-4-ylpiperidin-4-yl)amino]butan-2-ol
CID 65108384
ethyl 4-[4-[4-(2-pyridin-3-yloxyethylamino)piperidin-1-yl]benzoyl]piperazine-1-carboxylate
CID 42483061
N-(2-methyl-2-methylsulfonylpropyl)-1-pyridin-4-ylpiperidin-4-amine
CID 79563479

Frequently Asked Questions

What is the IUPAC name of 2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl carbamate?
The IUPAC name of 2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl carbamate (CID 83210815) is 2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl carbamate.
What is the SMILES notation for 2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl carbamate?
The canonical SMILES for 2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl carbamate is NC(=O)OCCNC1CCN(c2ccncc2)CC1.
What is the InChIKey of 2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl carbamate?
The InChIKey is JLJFUOYQVQFLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c14-13(18)19-10-7-16-11-3-8-17(9-4-11)12-1-5-15-6-2-12/h1-2,5-6,11,16H,3-4,7-10H2,(H2,14,18).
What are the key properties of 2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl carbamate?
2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl carbamate has a molecular weight of 264.33 g/mol, XLogP of 0.74, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-pyridin-4-ylpiperidin-4-yl)amino]ethyl carbamate is sourced from PubChem (CID 83210815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).