tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate

C16H32N2O3 — CID 103949538

IUPACtert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(NCCCCCCO)C1
InChIInChI=1S/C16H32N2O3/c1-16(2,3)21-15(20)18-11-8-9-14(13-18)17-10-6-4-5-7-12-19/h14,17,19H,4-13H2,1-3H3
InChIKeyDVQMIRCCHVWIKL-UHFFFAOYSA-N
MW300.44 g/mol
LogP2.53
Rot. Bonds7

About tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate

tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate (PubChem CID 103949538) has the molecular formula C16H32N2O3 and a molecular weight of 300.44 g/mol. Its IUPAC name is tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate
PubChem CID103949538
Molecular FormulaC16H32N2O3
Molecular Weight300.44 g/mol
Exact Mass300.24
IUPAC Nametert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC(NCCCCCCO)C1
InChIInChI=1S/C16H32N2O3/c1-16(2,3)21-15(20)18-11-8-9-14(13-18)17-10-6-4-5-7-12-19/h14,17,19H,4-13H2,1-3H3
InChIKeyDVQMIRCCHVWIKL-UHFFFAOYSA-N
XLogP2.53
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 52.53
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

tert-butyl 3-(4-hydroxybutylamino)piperidine-1-carboxylate
CID 106840867
tert-butyl 3-(5-hydroxypentylamino)pyrrolidine-1-carboxylate
CID 107302933
tert-butyl 3-[(5-hydroxy-2,2-dimethylpentyl)amino]piperidine-1-carboxylate
CID 103948891
tert-butyl (3R)-3-(pentylamino)azepane-1-carboxylate
CID 164579167
tert-butyl 3-(4-methylsulfanylbutylamino)azepane-1-carboxylate
CID 107249431
tert-butyl (3S)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311882
tert-butyl (3R)-3-[2-(dimethylamino)ethylamino]piperidine-1-carboxylate
CID 86311884
tert-butyl (3R)-3-(2-methylpropylamino)piperidine-1-carboxylate
CID 53256504
tert-butyl 3-(2-carbamoyloxyethylamino)piperidine-1-carboxylate
CID 83211355
tert-butyl 3-(7-methyloctylamino)pyrrolidine-1-carboxylate
CID 103820828
tert-butyl (3R)-3-(3-phenylpropylamino)piperidine-1-carboxylate
CID 175261637
tert-butyl (3R)-3-(pent-3-ynylamino)piperidine-1-carboxylate
CID 172535316

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate (CID 103949538) is tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC(NCCCCCCO)C1.
What is the InChIKey of tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate?
The InChIKey is DVQMIRCCHVWIKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O3/c1-16(2,3)21-15(20)18-11-8-9-14(13-18)17-10-6-4-5-7-12-19/h14,17,19H,4-13H2,1-3H3.
What are the key properties of tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate?
tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate has a molecular weight of 300.44 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(6-hydroxyhexylamino)piperidine-1-carboxylate is sourced from PubChem (CID 103949538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).