ethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate

C16H30N2O3 — CID 60710956

IUPACethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC2(O)CCCCCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-2-21-15(19)18-11-7-14(8-12-18)17-13-16(20)9-5-3-4-6-10-16/h14,17,20H,2-13H2,1H3
InChIKeyQPVHGILANGDPAA-UHFFFAOYSA-N
MW298.43 g/mol
LogP2.28
Rot. Bonds4

About ethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate

ethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate (PubChem CID 60710956) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is ethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate
PubChem CID60710956
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nameethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate
SMILESCCOC(=O)N1CCC(NCC2(O)CCCCCC2)CC1
InChIInChI=1S/C16H30N2O3/c1-2-21-15(19)18-11-7-14(8-12-18)17-13-16(20)9-5-3-4-6-10-16/h14,17,20H,2-13H2,1H3
InChIKeyQPVHGILANGDPAA-UHFFFAOYSA-N
XLogP2.28
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(1-hydroxycycloheptyl)methylamino]-N,N-dimethylpiperidine-1-carboxamide
CID 83190034
ethyl 4-[[1-(2-methoxyethyl)cyclopropyl]methylamino]piperidine-1-carboxylate
CID 103802384
1-[[(1-methylazepan-4-yl)amino]methyl]cycloheptan-1-ol
CID 65123148
ethyl 4-(2-hydroxypropylamino)piperidine-1-carboxylate
CID 43776223
ethyl 4-[(cyclopentylamino)methyl]-4-hydroxycyclohexane-1-carboxylate
CID 106498940
1-[4-[(4-ethyl-1-hydroxycyclohexyl)methylamino]piperidin-1-yl]ethanone
CID 65116415
ethyl 4-[[2-oxo-2-(propan-2-ylamino)ethyl]amino]piperidine-1-carboxylate
CID 28586107
1-[(cyclobutylamino)methyl]cycloheptan-1-ol
CID 62416530
ethyl 4-(piperidine-1-carbonylamino)piperidine-1-carboxylate
CID 108987901
ethyl 4-[(3-ethoxy-3-oxopropyl)amino]piperidine-1-carboxylate
CID 43093103
ethyl 4-(2-acetamidoethylamino)piperidine-1-carboxylate
CID 43226799
ethyl 4-[[2-(dimethylamino)-2-oxoethyl]amino]piperidine-1-carboxylate
CID 28586131

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate?
The IUPAC name of ethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate (CID 60710956) is ethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate.
What is the SMILES notation for ethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate?
The canonical SMILES for ethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate is CCOC(=O)N1CCC(NCC2(O)CCCCCC2)CC1.
What is the InChIKey of ethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate?
The InChIKey is QPVHGILANGDPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-2-21-15(19)18-11-7-14(8-12-18)17-13-16(20)9-5-3-4-6-10-16/h14,17,20H,2-13H2,1H3.
What are the key properties of ethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate?
ethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(1-hydroxycycloheptyl)methylamino]piperidine-1-carboxylate is sourced from PubChem (CID 60710956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).