tert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate

C16H30N2O3 — CID 97226565

IUPACtert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN[C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)18-9-7-12(8-10-18)11-17-13-5-4-6-14(13)19/h12-14,17,19H,4-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyDGHCOFQDLPRYRY-KBPBESRZSA-N
MW298.43 g/mol
LogP2.14
Rot. Bonds3

About tert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate

tert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate (PubChem CID 97226565) has the molecular formula C16H30N2O3 and a molecular weight of 298.43 g/mol. Its IUPAC name is tert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate
PubChem CID97226565
Molecular FormulaC16H30N2O3
Molecular Weight298.43 g/mol
Exact Mass298.23
IUPAC Nametert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC(CN[C@H]2CCC[C@@H]2O)CC1
InChIInChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)18-9-7-12(8-10-18)11-17-13-5-4-6-14(13)19/h12-14,17,19H,4-11H2,1-3H3/t13-,14-/m0/s1
InChIKeyDGHCOFQDLPRYRY-KBPBESRZSA-N
XLogP2.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 4-[[(2-methylcyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 103730078
tert-butyl 4-[[[2-(hydroxymethyl)cyclopentyl]amino]methyl]piperidine-1-carboxylate
CID 103766002
tert-butyl 3-[[(2-hydroxycyclohexyl)amino]methyl]piperidine-1-carboxylate
CID 103680177
tert-butyl 4-[(1-azabicyclo[3.2.1]octan-4-ylamino)methyl]piperidine-1-carboxylate
CID 107241575
tert-butyl 4-[[[(2R)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 138722566
tert-butyl 4-[[[(1S)-2-phenylcyclopropyl]amino]methyl]piperidine-1-carboxylate
CID 70810888
tert-butyl 4-(ethylaminomethyl)piperidine-1-carboxylate
CID 53249196
tert-butyl 4-[(piperidin-3-ylamino)methyl]piperidine-1-carboxylate
CID 107241583
tert-butyl 4-[[2-(tert-butylamino)ethylamino]methyl]piperidine-1-carboxylate
CID 107446306
tert-butyl 4-[(pyrrolidin-3-ylamino)methyl]piperidine-1-carboxylate
CID 107241625
tert-butyl 4-(propylaminomethyl)piperidine-1-carboxylate
CID 66960433
tert-butyl 4-[(prop-2-ynylamino)methyl]piperidine-1-carboxylate
CID 79699956

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate (CID 97226565) is tert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC(CN[C@H]2CCC[C@@H]2O)CC1.
What is the InChIKey of tert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate?
The InChIKey is DGHCOFQDLPRYRY-KBPBESRZSA-N. The full InChI is InChI=1S/C16H30N2O3/c1-16(2,3)21-15(20)18-9-7-12(8-10-18)11-17-13-5-4-6-14(13)19/h12-14,17,19H,4-11H2,1-3H3/t13-,14-/m0/s1.
What are the key properties of tert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate?
tert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate has a molecular weight of 298.43 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]piperidine-1-carboxylate is sourced from PubChem (CID 97226565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).