(2-amino-5-piperidin-1-ylphenyl) carbamate

C12H17N3O2 — CID 175107647

IUPAC(2-amino-5-piperidin-1-ylphenyl) carbamate
SMILESNC(=O)Oc1cc(N2CCCCC2)ccc1N
InChIInChI=1S/C12H17N3O2/c13-10-5-4-9(8-11(10)17-12(14)16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,13H2,(H2,14,16)
InChIKeyIABLACLJQNQFHI-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.72
Rot. Bonds2

About (2-amino-5-piperidin-1-ylphenyl) carbamate

(2-amino-5-piperidin-1-ylphenyl) carbamate (PubChem CID 175107647) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is (2-amino-5-piperidin-1-ylphenyl) carbamate.

Molecular Properties

Compound Name(2-amino-5-piperidin-1-ylphenyl) carbamate
PubChem CID175107647
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name(2-amino-5-piperidin-1-ylphenyl) carbamate
SMILESNC(=O)Oc1cc(N2CCCCC2)ccc1N
InChIInChI=1S/C12H17N3O2/c13-10-5-4-9(8-11(10)17-12(14)16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,13H2,(H2,14,16)
InChIKeyIABLACLJQNQFHI-UHFFFAOYSA-N
XLogP1.72
TPSA81.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate
CID 175146069
2-amino-5-(azepan-1-yl)benzamide
CID 61313055
4-(azocan-1-yl)-2-propan-2-yloxyaniline
CID 83002719
4-(azocan-1-yl)benzene-1,2-diamine
CID 106750210
[2-amino-5-(4-methylpiperazin-1-yl)phenyl] N-tert-butylcarbamate
CID 156540244
2-amino-1-(2-amino-5-pyrrolidin-1-ylphenyl)ethanone
CID 170861013
1-(4-amino-3-propoxyphenyl)piperidine-3-carboxamide
CID 63669903
(2-amino-5-piperidin-1-ylphenyl)-(4-methylpiperazin-1-yl)methanone
CID 23610433
1-[4-[4-amino-3-(trifluoromethoxy)phenyl]piperazin-1-yl]-2-hydroxyethanone
CID 68944469
2-methyl-4-pyrrolidin-1-ylaniline;dihydrochloride
CID 47002820
5-(azepan-1-yl)-2-fluorobenzoic acid
CID 79694518
2-methoxy-4-piperidin-1-ylbenzaldehyde
CID 3156699

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-piperidin-1-ylphenyl) carbamate?
The IUPAC name of (2-amino-5-piperidin-1-ylphenyl) carbamate (CID 175107647) is (2-amino-5-piperidin-1-ylphenyl) carbamate.
What is the SMILES notation for (2-amino-5-piperidin-1-ylphenyl) carbamate?
The canonical SMILES for (2-amino-5-piperidin-1-ylphenyl) carbamate is NC(=O)Oc1cc(N2CCCCC2)ccc1N.
What is the InChIKey of (2-amino-5-piperidin-1-ylphenyl) carbamate?
The InChIKey is IABLACLJQNQFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c13-10-5-4-9(8-11(10)17-12(14)16)15-6-2-1-3-7-15/h4-5,8H,1-3,6-7,13H2,(H2,14,16).
What are the key properties of (2-amino-5-piperidin-1-ylphenyl) carbamate?
(2-amino-5-piperidin-1-ylphenyl) carbamate has a molecular weight of 235.29 g/mol, XLogP of 1.72, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-piperidin-1-ylphenyl) carbamate is sourced from PubChem (CID 175107647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).