tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol

C18H30N2O3 — CID 142239984

IUPACtert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol
SMILESCC(C)(C)OC(=O)N1CCC(N)CC1.OCCc1ccccc1
InChIInChI=1S/C10H20N2O2.C8H10O/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;9-7-6-8-4-2-1-3-5-8/h8H,4-7,11H2,1-3H3;1-5,9H,6-7H2
InChIKeyNNKMPJBINOKMEA-UHFFFAOYSA-N
MW322.45 g/mol
LogP2.57
Rot. Bonds2

About tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol

tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol (PubChem CID 142239984) has the molecular formula C18H30N2O3 and a molecular weight of 322.45 g/mol. Its IUPAC name is tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol.

Molecular Properties

Compound Nametert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol
PubChem CID142239984
Molecular FormulaC18H30N2O3
Molecular Weight322.45 g/mol
Exact Mass322.23
IUPAC Nametert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol
SMILESCC(C)(C)OC(=O)N1CCC(N)CC1.OCCc1ccccc1
InChIInChI=1S/C10H20N2O2.C8H10O/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;9-7-6-8-4-2-1-3-5-8/h8H,4-7,11H2,1-3H3;1-5,9H,6-7H2
InChIKeyNNKMPJBINOKMEA-UHFFFAOYSA-N
XLogP2.57
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol 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 4-(2-phenylethyl)piperidine-1-carboxylate
CID 58041388
tert-butyl 4-[3-(2-hydroxyethyl)phenoxy]piperidine-1-carboxylate
CID 129294526
benzyl 4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]sulfanylpiperidine-1-carboxylate
CID 129189016
tert-butyl 4-aminopiperidine-1-carboxylate;2-methylpyridine
CID 153338980
benzyl 4-[1,3-dihydroxy-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propan-2-yl]piperidine-1-carboxylate
CID 177118557
3-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethyl]benzoic acid
CID 57421826
benzyl 4-[2-hydroxy-3-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]propyl]piperidine-1-carboxylate
CID 177321170
tert-butyl 4-[3-hydroxypropyl(phenylmethoxycarbonyl)amino]piperidine-1-carboxylate
CID 22894079
tert-butyl 4-(2-benzoyloxyethyl)piperidine-1-carboxylate
CID 129162455
tert-butyl 4-(hydroxymethyl)-4-(2-phenylethyl)piperidine-1-carboxylate
CID 135323439
tert-butyl 4-(N-benzylanilino)piperidine-1-carboxylate
CID 118798320
tert-butyl (4S)-4-[4-(2-hydroxyethyl)anilino]azepane-1-carboxylate
CID 99853020

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol?
The IUPAC name of tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol (CID 142239984) is tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol.
What is the SMILES notation for tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol?
The canonical SMILES for tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol is CC(C)(C)OC(=O)N1CCC(N)CC1.OCCc1ccccc1.
What is the InChIKey of tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol?
The InChIKey is NNKMPJBINOKMEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O2.C8H10O/c1-10(2,3)14-9(13)12-6-4-8(11)5-7-12;9-7-6-8-4-2-1-3-5-8/h8H,4-7,11H2,1-3H3;1-5,9H,6-7H2.
What are the key properties of tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol?
tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol has a molecular weight of 322.45 g/mol, XLogP of 2.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-aminopiperidine-1-carboxylate;2-phenylethanol is sourced from PubChem (CID 142239984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).