tert-butyl (2S)-2-[(2S)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate

C16H29NO3 — CID 102286865

IUPACtert-butyl (2S)-2-[(2S)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate
SMILESC=C(C)C[C@H](O)C[C@@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-12(2)10-14(18)11-13-8-6-7-9-17(13)15(19)20-16(3,4)5/h13-14,18H,1,6-11H2,2-5H3/t13-,14-/m0/s1
InChIKeyCTCLMHIHANGCQK-KBPBESRZSA-N
MW283.41 g/mol
LogP3.49
Rot. Bonds4

About tert-butyl (2S)-2-[(2S)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate

tert-butyl (2S)-2-[(2S)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate (PubChem CID 102286865) has the molecular formula C16H29NO3 and a molecular weight of 283.41 g/mol. Its IUPAC name is tert-butyl (2S)-2-[(2S)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2S)-2-[(2S)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate
PubChem CID102286865
Molecular FormulaC16H29NO3
Molecular Weight283.41 g/mol
Exact Mass283.21
IUPAC Nametert-butyl (2S)-2-[(2S)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate
SMILESC=C(C)C[C@H](O)C[C@@H]1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C16H29NO3/c1-12(2)10-14(18)11-13-8-6-7-9-17(13)15(19)20-16(3,4)5/h13-14,18H,1,6-11H2,2-5H3/t13-,14-/m0/s1
InChIKeyCTCLMHIHANGCQK-KBPBESRZSA-N
XLogP3.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.41
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tert-butyl (2S)-2-[(2R)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate
CID 102286864
tert-butyl (2R)-2-[(2R)-2-hydroxypropyl]piperidine-1-carboxylate
CID 11470569
Vqsyqfikiculrp-huucewrrsa-
CID 15736605
tert-butyl (2S,6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylate
CID 67092784
Tert-butyl 2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylate
CID 67093148
tert-butyl (2R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylate
CID 67093149
tert-butyl (6R)-2-(hydroxymethyl)-6-prop-2-enylpiperidine-1-carboxylate
CID 67093150
Tert-butyl 4-hydroxy-4-methyl-2-(2-methylidenebutyl)piperidine-1-carboxylate
CID 123712413
Tert-butyl 4-hydroxy-2-prop-2-enylpiperidine-1-carboxylate
CID 141008423
Ethyl 4-hydroxy-2-prop-2-enylpiperidine-1-carboxylate
CID 152005738
tert-butyl (2S,4S)-4-hydroxy-2-[(3E)-2-methylhexa-1,3,5-trien-3-yl]piperidine-1-carboxylate
CID 164586113
Tert-butyl 2-butyl-4-hydroxypiperidine-1-carboxylate
CID 174461607

Frequently Asked Questions

What is the IUPAC name of tert-butyl (2S)-2-[(2S)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl (2S)-2-[(2S)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate (CID 102286865) is tert-butyl (2S)-2-[(2S)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2S)-2-[(2S)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl (2S)-2-[(2S)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate is C=C(C)C[C@H](O)C[C@@H]1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (2S)-2-[(2S)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate?
The InChIKey is CTCLMHIHANGCQK-KBPBESRZSA-N. The full InChI is InChI=1S/C16H29NO3/c1-12(2)10-14(18)11-13-8-6-7-9-17(13)15(19)20-16(3,4)5/h13-14,18H,1,6-11H2,2-5H3/t13-,14-/m0/s1.
What are the key properties of tert-butyl (2S)-2-[(2S)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate?
tert-butyl (2S)-2-[(2S)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate has a molecular weight of 283.41 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2S)-2-[(2S)-2-hydroxy-4-methylpent-4-enyl]piperidine-1-carboxylate is sourced from PubChem (CID 102286865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).