[1-[3-(2-aminocyclopropyl)phenyl]piperidin-4-yl] N-tert-butylcarbamate

C19H29N3O2 — CID 174973716

IUPAC[1-[3-(2-aminocyclopropyl)phenyl]piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(c2cccc(C3CC3N)c2)CC1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)21-18(23)24-15-7-9-22(10-8-15)14-6-4-5-13(11-14)16-12-17(16)20/h4-6,11,15-17H,7-10,12,20H2,1-3H3,(H,21,23)
InChIKeyVZQSKFBQZYWYRF-UHFFFAOYSA-N
MW331.46 g/mol
LogP2.99
Rot. Bonds3

About [1-[3-(2-aminocyclopropyl)phenyl]piperidin-4-yl] N-tert-butylcarbamate

[1-[3-(2-aminocyclopropyl)phenyl]piperidin-4-yl] N-tert-butylcarbamate (PubChem CID 174973716) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is [1-[3-(2-aminocyclopropyl)phenyl]piperidin-4-yl] N-tert-butylcarbamate.

Molecular Properties

Compound Name[1-[3-(2-aminocyclopropyl)phenyl]piperidin-4-yl] N-tert-butylcarbamate
PubChem CID174973716
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name[1-[3-(2-aminocyclopropyl)phenyl]piperidin-4-yl] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)OC1CCN(c2cccc(C3CC3N)c2)CC1
InChIInChI=1S/C19H29N3O2/c1-19(2,3)21-18(23)24-15-7-9-22(10-8-15)14-6-4-5-13(11-14)16-12-17(16)20/h4-6,11,15-17H,7-10,12,20H2,1-3H3,(H,21,23)
InChIKeyVZQSKFBQZYWYRF-UHFFFAOYSA-N
XLogP2.99
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[1-(3-bromophenyl)piperidin-4-yl] N-tert-butylcarbamate
CID 174721533
[1-(6-chloro-3-pyridinyl)piperidin-4-yl] N-tert-butylcarbamate
CID 174550196
[1-(4-bromo-2-fluorophenyl)piperidin-4-yl] N-tert-butylcarbamate
CID 170167231
(1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate
CID 90693574
N-tert-butyl-1-(3-chlorophenyl)piperidine-4-carboxamide
CID 17152865
[1-(1H-pyrrolo[3,2-b]pyridin-3-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 91338910
[1-[6-chloro-4-(hydrazinecarbonyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate
CID 174640244
[1-(2-chloropyrimidin-4-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 174432844
(1-phenylpiperidin-4-yl) 2,2-dimethylpropanoate
CID 174723851
[1-[[3-amino-2-(methylamino)phenyl]methyl]piperidin-4-yl] N-tert-butylcarbamate
CID 170167658
[1-(3-amino-6-bromopyrazin-2-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 123305693
[1-[3-carbamoyl-6-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl] N-tert-butylcarbamate
CID 174652149

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-aminocyclopropyl)phenyl]piperidin-4-yl] N-tert-butylcarbamate?
The IUPAC name of [1-[3-(2-aminocyclopropyl)phenyl]piperidin-4-yl] N-tert-butylcarbamate (CID 174973716) is [1-[3-(2-aminocyclopropyl)phenyl]piperidin-4-yl] N-tert-butylcarbamate.
What is the SMILES notation for [1-[3-(2-aminocyclopropyl)phenyl]piperidin-4-yl] N-tert-butylcarbamate?
The canonical SMILES for [1-[3-(2-aminocyclopropyl)phenyl]piperidin-4-yl] N-tert-butylcarbamate is CC(C)(C)NC(=O)OC1CCN(c2cccc(C3CC3N)c2)CC1.
What is the InChIKey of [1-[3-(2-aminocyclopropyl)phenyl]piperidin-4-yl] N-tert-butylcarbamate?
The InChIKey is VZQSKFBQZYWYRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-19(2,3)21-18(23)24-15-7-9-22(10-8-15)14-6-4-5-13(11-14)16-12-17(16)20/h4-6,11,15-17H,7-10,12,20H2,1-3H3,(H,21,23).
What are the key properties of [1-[3-(2-aminocyclopropyl)phenyl]piperidin-4-yl] N-tert-butylcarbamate?
[1-[3-(2-aminocyclopropyl)phenyl]piperidin-4-yl] N-tert-butylcarbamate has a molecular weight of 331.46 g/mol, XLogP of 2.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-aminocyclopropyl)phenyl]piperidin-4-yl] N-tert-butylcarbamate is sourced from PubChem (CID 174973716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).