[3-amino-4-[[(2R)-1-methylpiperidin-2-yl]methylamino]phenyl]-methylcarbamic acid

C15H24N4O2 — CID 69441538

IUPAC[3-amino-4-[[(2R)-1-methylpiperidin-2-yl]methylamino]phenyl]-methylcarbamic acid
SMILESCN(C(=O)O)c1ccc(NC[C@H]2CCCCN2C)c(N)c1
InChIInChI=1S/C15H24N4O2/c1-18-8-4-3-5-12(18)10-17-14-7-6-11(9-13(14)16)19(2)15(20)21/h6-7,9,12,17H,3-5,8,10,16H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyUBOJTOOSMYVANE-GFCCVEGCSA-N
MW292.38 g/mol
LogP2.28
Rot. Bonds4

About [3-amino-4-[[(2R)-1-methylpiperidin-2-yl]methylamino]phenyl]-methylcarbamic acid

[3-amino-4-[[(2R)-1-methylpiperidin-2-yl]methylamino]phenyl]-methylcarbamic acid (PubChem CID 69441538) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [3-amino-4-[[(2R)-1-methylpiperidin-2-yl]methylamino]phenyl]-methylcarbamic acid.

Molecular Properties

Compound Name[3-amino-4-[[(2R)-1-methylpiperidin-2-yl]methylamino]phenyl]-methylcarbamic acid
PubChem CID69441538
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[3-amino-4-[[(2R)-1-methylpiperidin-2-yl]methylamino]phenyl]-methylcarbamic acid
SMILESCN(C(=O)O)c1ccc(NC[C@H]2CCCCN2C)c(N)c1
InChIInChI=1S/C15H24N4O2/c1-18-8-4-3-5-12(18)10-17-14-7-6-11(9-13(14)16)19(2)15(20)21/h6-7,9,12,17H,3-5,8,10,16H2,1-2H3,(H,20,21)/t12-/m1/s1
InChIKeyUBOJTOOSMYVANE-GFCCVEGCSA-N
XLogP2.28
TPSA81.83 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate
CID 91003897
3-chloro-4-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 55181036
(2R)-2-[[2-amino-4-(diethylcarbamoyl)anilino]methyl]piperidine-1-carboxylic acid
CID 69052821
N,N,4-trimethyl-3-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62656532
3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62656714
3-amino-2-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 112578645
2-amino-3-fluoro-6-[(1-methylpyrrolidin-2-yl)methylamino]benzoic acid
CID 106019666
5-amino-N-methyl-2-[(1-methylpiperidin-2-yl)methylamino]benzenesulfonamide
CID 103286939
2-methoxy-4-methyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62659446
2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 63427545
2-chloro-5-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 62657718
N,N-dimethyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62655654

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-[[(2R)-1-methylpiperidin-2-yl]methylamino]phenyl]-methylcarbamic acid?
The IUPAC name of [3-amino-4-[[(2R)-1-methylpiperidin-2-yl]methylamino]phenyl]-methylcarbamic acid (CID 69441538) is [3-amino-4-[[(2R)-1-methylpiperidin-2-yl]methylamino]phenyl]-methylcarbamic acid.
What is the SMILES notation for [3-amino-4-[[(2R)-1-methylpiperidin-2-yl]methylamino]phenyl]-methylcarbamic acid?
The canonical SMILES for [3-amino-4-[[(2R)-1-methylpiperidin-2-yl]methylamino]phenyl]-methylcarbamic acid is CN(C(=O)O)c1ccc(NC[C@H]2CCCCN2C)c(N)c1.
What is the InChIKey of [3-amino-4-[[(2R)-1-methylpiperidin-2-yl]methylamino]phenyl]-methylcarbamic acid?
The InChIKey is UBOJTOOSMYVANE-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-18-8-4-3-5-12(18)10-17-14-7-6-11(9-13(14)16)19(2)15(20)21/h6-7,9,12,17H,3-5,8,10,16H2,1-2H3,(H,20,21)/t12-/m1/s1.
What are the key properties of [3-amino-4-[[(2R)-1-methylpiperidin-2-yl]methylamino]phenyl]-methylcarbamic acid?
[3-amino-4-[[(2R)-1-methylpiperidin-2-yl]methylamino]phenyl]-methylcarbamic acid has a molecular weight of 292.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-[[(2R)-1-methylpiperidin-2-yl]methylamino]phenyl]-methylcarbamic acid is sourced from PubChem (CID 69441538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).