ethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate

C17H32N2O2 — CID 79541683

IUPACethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate
SMILESCCOC(=O)CCCNC1CCCCC1C1CCCCN1
InChIInChI=1S/C17H32N2O2/c1-2-21-17(20)11-7-13-19-15-9-4-3-8-14(15)16-10-5-6-12-18-16/h14-16,18-19H,2-13H2,1H3
InChIKeyHJCHABMHBIQRJS-UHFFFAOYSA-N
MW296.45 g/mol
LogP2.62
Rot. Bonds7

About ethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate

ethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate (PubChem CID 79541683) has the molecular formula C17H32N2O2 and a molecular weight of 296.45 g/mol. Its IUPAC name is ethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate.

Molecular Properties

Compound Nameethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate
PubChem CID79541683
Molecular FormulaC17H32N2O2
Molecular Weight296.45 g/mol
Exact Mass296.25
IUPAC Nameethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate
SMILESCCOC(=O)CCCNC1CCCCC1C1CCCCN1
InChIInChI=1S/C17H32N2O2/c1-2-21-17(20)11-7-13-19-15-9-4-3-8-14(15)16-10-5-6-12-18-16/h14-16,18-19H,2-13H2,1H3
InChIKeyHJCHABMHBIQRJS-UHFFFAOYSA-N
XLogP2.62
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-hexyl-2-piperidin-2-ylcyclopentan-1-amine
CID 79545809
ethyl 4-[(2-ethylcyclohexyl)amino]butanoate
CID 64580465
N-cyclopropyl-4-[(2-pyrrolidin-2-ylcyclohexyl)amino]butanamide
CID 79536954
3-[(2-piperidin-2-ylcyclopentyl)amino]propan-1-ol
CID 79544914
N-[3-(2-methoxyethoxy)propyl]-2-piperidin-2-ylcyclohexan-1-amine
CID 79541663
2-[(2-piperidin-2-ylcyclopentyl)amino]ethyl carbamate
CID 83210601
N',N'-diethyl-N-(2-piperidin-2-ylcyclohexyl)propane-1,3-diamine
CID 79537332
ethyl 4-[[(2S)-piperidine-2-carbonyl]amino]butanoate
CID 103809125
N-propyl-3-[(2-pyrrolidin-2-ylcyclohexyl)amino]propanamide
CID 79548705
N-ethyl-2-piperidin-2-ylcyclohexan-1-amine
CID 79553478
ethyl 4-(piperidine-2-carbonylamino)butanoate;hydrochloride
CID 119290922
2-piperidin-2-yl-N-(3-propan-2-yloxypropyl)cyclohexan-1-amine
CID 79552730

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate?
The IUPAC name of ethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate (CID 79541683) is ethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate.
What is the SMILES notation for ethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate?
The canonical SMILES for ethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate is CCOC(=O)CCCNC1CCCCC1C1CCCCN1.
What is the InChIKey of ethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate?
The InChIKey is HJCHABMHBIQRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O2/c1-2-21-17(20)11-7-13-19-15-9-4-3-8-14(15)16-10-5-6-12-18-16/h14-16,18-19H,2-13H2,1H3.
What are the key properties of ethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate?
ethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate has a molecular weight of 296.45 g/mol, XLogP of 2.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(2-piperidin-2-ylcyclohexyl)amino]butanoate is sourced from PubChem (CID 79541683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).