[3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate

C15H24N4O2 — CID 91003897

IUPAC[3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(NCC2CCCCN2C)c(N)c1
InChIInChI=1S/C15H24N4O2/c1-17-15(20)21-12-6-7-14(13(16)9-12)18-10-11-5-3-4-8-19(11)2/h6-7,9,11,18H,3-5,8,10,16H2,1-2H3,(H,17,20)
InChIKeyZUYQDOQKIOCTLM-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.88
Rot. Bonds4

About [3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate

[3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate (PubChem CID 91003897) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is [3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate.

Molecular Properties

Compound Name[3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate
PubChem CID91003897
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name[3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate
SMILESCNC(=O)Oc1ccc(NCC2CCCCN2C)c(N)c1
InChIInChI=1S/C15H24N4O2/c1-17-15(20)21-12-6-7-14(13(16)9-12)18-10-11-5-3-4-8-19(11)2/h6-7,9,11,18H,3-5,8,10,16H2,1-2H3,(H,17,20)
InChIKeyZUYQDOQKIOCTLM-UHFFFAOYSA-N
XLogP1.88
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[3-amino-4-[[(2R)-1-methylpiperidin-2-yl]methylamino]phenyl]-methylcarbamic acid
CID 69441538
2-amino-4-methoxy-N-[(1-methylpiperidin-2-yl)methyl]benzamide
CID 115413083
3-methyl-4-[(1-methylpiperidin-2-yl)methylamino]benzamide
CID 62656714
3-chloro-4-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 55181036
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
ethyl 2-amino-3-[(1-methylpiperidin-2-yl)methylamino]benzoate
CID 115545628
N-methyl-2-[3-[(1-methylpiperidin-2-yl)methylamino]phenoxy]acetamide
CID 62655273
3-amino-2-[(1-methylpiperidin-2-yl)methylamino]benzoic acid
CID 112578645
[3-amino-4-[[(2S)-oxetan-2-yl]methylamino]phenyl] N-tert-butylcarbamate
CID 175450962
4-ethoxy-N-[(1-methylpiperidin-2-yl)methyl]-2-nitroaniline
CID 62657724
2,4-dibromo-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 63427545

Frequently Asked Questions

What is the IUPAC name of [3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate?
The IUPAC name of [3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate (CID 91003897) is [3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate.
What is the SMILES notation for [3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate?
The canonical SMILES for [3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate is CNC(=O)Oc1ccc(NCC2CCCCN2C)c(N)c1.
What is the InChIKey of [3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate?
The InChIKey is ZUYQDOQKIOCTLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-17-15(20)21-12-6-7-14(13(16)9-12)18-10-11-5-3-4-8-19(11)2/h6-7,9,11,18H,3-5,8,10,16H2,1-2H3,(H,17,20).
What are the key properties of [3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate?
[3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate has a molecular weight of 292.38 g/mol, XLogP of 1.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-amino-4-[(1-methylpiperidin-2-yl)methylamino]phenyl] N-methylcarbamate is sourced from PubChem (CID 91003897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).