tert-butyl 3-(3-piperazin-1-ylpropyl)piperidine-1-carboxylate;hydrochloride

C17H34ClN3O2 — CID 155858324

IUPACtert-butyl 3-(3-piperazin-1-ylpropyl)piperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCCC(CCCN2CCNCC2)C1.Cl
InChIInChI=1S/C17H33N3O2.ClH/c1-17(2,3)22-16(21)20-11-5-7-15(14-20)6-4-10-19-12-8-18-9-13-19;/h15,18H,4-14H2,1-3H3;1H
InChIKeyNKNJTDAYDXIYRN-UHFFFAOYSA-N
MW347.93 g/mol
LogP2.74
Rot. Bonds4

About tert-butyl 3-(3-piperazin-1-ylpropyl)piperidine-1-carboxylate;hydrochloride

tert-butyl 3-(3-piperazin-1-ylpropyl)piperidine-1-carboxylate;hydrochloride (PubChem CID 155858324) has the molecular formula C17H34ClN3O2 and a molecular weight of 347.93 g/mol. Its IUPAC name is tert-butyl 3-(3-piperazin-1-ylpropyl)piperidine-1-carboxylate;hydrochloride.

Molecular Properties

Compound Nametert-butyl 3-(3-piperazin-1-ylpropyl)piperidine-1-carboxylate;hydrochloride
PubChem CID155858324
Molecular FormulaC17H34ClN3O2
Molecular Weight347.93 g/mol
Exact Mass347.23
IUPAC Nametert-butyl 3-(3-piperazin-1-ylpropyl)piperidine-1-carboxylate;hydrochloride
SMILESCC(C)(C)OC(=O)N1CCCC(CCCN2CCNCC2)C1.Cl
InChIInChI=1S/C17H33N3O2.ClH/c1-17(2,3)22-16(21)20-11-5-7-15(14-20)6-4-10-19-12-8-18-9-13-19;/h15,18H,4-14H2,1-3H3;1H
InChIKeyNKNJTDAYDXIYRN-UHFFFAOYSA-N
XLogP2.74
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.93
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze tert-butyl 3-(3-piperazin-1-ylpropyl)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

Related Compounds

tert-butyl 3-(3-piperazin-1-ylpropyl)piperidine-1-carboxylate
CID 155858325
tert-butyl 3-(3-aminopropyl)piperidine-1-carboxylate
CID 68857542
tert-butyl 3-(hydroxymethyl)piperidine-1-carboxylate
CID 2763851
tert-butyl 3-(2-iodoethyl)piperidine-1-carboxylate
CID 10088547
3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]propanoic acid
CID 2756824
tert-butyl (3R)-3-but-3-enylpiperidine-1-carboxylate
CID 124585421
tert-butyl (3R)-3-[2-(cyclopropylamino)ethyl]piperidine-1-carboxylate
CID 97172112
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
tert-butyl 3-(2-aminoethyl)azepane-1-carboxylate
CID 83488042
tert-butyl 3-[(2-methylpropan-2-yl)oxymethyl]piperidine-1-carboxylate
CID 118163740
tert-butyl (3S)-3-[dideuterio(hydroxy)methyl]piperidine-1-carboxylate
CID 151334292
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-3-yl]acetic acid
CID 4115028

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(3-piperazin-1-ylpropyl)piperidine-1-carboxylate;hydrochloride?
The IUPAC name of tert-butyl 3-(3-piperazin-1-ylpropyl)piperidine-1-carboxylate;hydrochloride (CID 155858324) is tert-butyl 3-(3-piperazin-1-ylpropyl)piperidine-1-carboxylate;hydrochloride.
What is the SMILES notation for tert-butyl 3-(3-piperazin-1-ylpropyl)piperidine-1-carboxylate;hydrochloride?
The canonical SMILES for tert-butyl 3-(3-piperazin-1-ylpropyl)piperidine-1-carboxylate;hydrochloride is CC(C)(C)OC(=O)N1CCCC(CCCN2CCNCC2)C1.Cl.
What is the InChIKey of tert-butyl 3-(3-piperazin-1-ylpropyl)piperidine-1-carboxylate;hydrochloride?
The InChIKey is NKNJTDAYDXIYRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3O2.ClH/c1-17(2,3)22-16(21)20-11-5-7-15(14-20)6-4-10-19-12-8-18-9-13-19;/h15,18H,4-14H2,1-3H3;1H.
What are the key properties of tert-butyl 3-(3-piperazin-1-ylpropyl)piperidine-1-carboxylate;hydrochloride?
tert-butyl 3-(3-piperazin-1-ylpropyl)piperidine-1-carboxylate;hydrochloride has a molecular weight of 347.93 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(3-piperazin-1-ylpropyl)piperidine-1-carboxylate;hydrochloride is sourced from PubChem (CID 155858324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).