tert-butyl 4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]piperidine-1-carboxylate;hydrochloride

C15H29ClN2O3 — CID 155973209

IUPACtert-butyl 4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]piperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(CN2CC[C@@H](O)C2)CC1.Cl
InChIInChI=1S/C15H28N2O3.ClH/c1-15(2,3)20-14(19)17-8-4-12(5-9-17)10-16-7-6-13(18)11-16;/h12-13,18H,4-11H2,1-3H3;1H/t13-;/m1./s1
InChIKeyBTQXBBUMQUZBOD-BTQNPOSSSA-N
MW320.86 g/mol
LogP2.12
Rot. Bonds2

About tert-butyl 4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]piperidine-1-carboxylate;hydrochloride

tert-butyl 4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]piperidine-1-carboxylate;hydrochloride (PubChem CID 155973209) has the molecular formula C15H29ClN2O3 and a molecular weight of 320.86 g/mol. Its IUPAC name is tert-butyl 4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]piperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]piperidine-1-carboxylate;hydrochloride
PubChem CID155973209
Molecular FormulaC15H29ClN2O3
Molecular Weight320.86 g/mol
Exact Mass320.19
IUPAC Nametert-butyl 4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]piperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCC(CN2CC[C@@H](O)C2)CC1.Cl
InChIInChI=1S/C15H28N2O3.ClH/c1-15(2,3)20-14(19)17-8-4-12(5-9-17)10-16-7-6-13(18)11-16;/h12-13,18H,4-11H2,1-3H3;1H/t13-;/m1./s1
InChIKeyBTQXBBUMQUZBOD-BTQNPOSSSA-N
XLogP2.12
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.86
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]piperidine-1-carboxylate;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]piperidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]piperidine-1-carboxylate;hydrochloride (CID 155973209) is tert-butyl 4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]piperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]piperidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]piperidine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCC(CN2CC[C@@H](O)C2)CC1.Cl.
What is the InChIKey of tert-butyl 4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]piperidine-1-carboxylate;hydrochloride?
The InChIKey is BTQXBBUMQUZBOD-BTQNPOSSSA-N. The full InChI is InChI=1S/C15H28N2O3.ClH/c1-15(2,3)20-14(19)17-8-4-12(5-9-17)10-16-7-6-13(18)11-16;/h12-13,18H,4-11H2,1-3H3;1H/t13-;/m1./s1.
What are the key properties of tert-butyl 4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]piperidine-1-carboxylate;hydrochloride?
tert-butyl 4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]piperidine-1-carboxylate;hydrochloride has a molecular weight of 320.86 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[[(3R)-3-hydroxypyrrolidin-1-yl]methyl]piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 155973209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).