[2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate

C17H27N5O2 — CID 175146069

IUPAC[2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate
SMILESCN1CCN(C2CCN(c3ccc(N)c(OC(N)=O)c3)CC2)CC1
InChIInChI=1S/C17H27N5O2/c1-20-8-10-22(11-9-20)13-4-6-21(7-5-13)14-2-3-15(18)16(12-14)24-17(19)23/h2-3,12-13H,4-11,18H2,1H3,(H2,19,23)
InChIKeyMBOHOWNQSPZMGJ-UHFFFAOYSA-N
MW333.44 g/mol
LogP0.94
Rot. Bonds3

About [2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate

[2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate (PubChem CID 175146069) has the molecular formula C17H27N5O2 and a molecular weight of 333.44 g/mol. Its IUPAC name is [2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate.

Molecular Properties

Compound Name[2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate
PubChem CID175146069
Molecular FormulaC17H27N5O2
Molecular Weight333.44 g/mol
Exact Mass333.22
IUPAC Name[2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate
SMILESCN1CCN(C2CCN(c3ccc(N)c(OC(N)=O)c3)CC2)CC1
InChIInChI=1S/C17H27N5O2/c1-20-8-10-22(11-9-20)13-4-6-21(7-5-13)14-2-3-15(18)16(12-14)24-17(19)23/h2-3,12-13H,4-11,18H2,1H3,(H2,19,23)
InChIKeyMBOHOWNQSPZMGJ-UHFFFAOYSA-N
XLogP0.94
TPSA88.06 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;tris(2,2,2-trifluoroacetic acid)
CID 86677522
2-(difluoromethoxy)-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 162611129
2-methoxy-4-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline;molecular hydrogen
CID 144787336
(2-amino-5-piperidin-1-ylphenyl) carbamate
CID 175107647
1-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-N-methylpiperidin-4-amine
CID 166656430
2-methoxy-4-[4-(4-methylsulfonylpiperazin-1-yl)piperidin-1-yl]aniline
CID 57416151
3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]aniline
CID 66656690
[2-amino-5-(4-methylpiperazin-1-yl)phenyl] N-tert-butylcarbamate
CID 156540244
4-(4-cyclohexylpiperazin-1-yl)-2-methoxyaniline
CID 58608385
4-(4-cyclopropylpiperazin-1-yl)-2-(difluoromethoxy)aniline
CID 67325963
4-[1-(4-amino-3-methoxyphenyl)piperidin-4-yl]-1-(2-fluoroethyl)piperazin-2-one
CID 59452779
2-methoxy-4-[4-[4-(2-methylsulfonylethyl)piperidin-1-yl]piperidin-1-yl]aniline
CID 59452961

Frequently Asked Questions

What is the IUPAC name of [2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate?
The IUPAC name of [2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate (CID 175146069) is [2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate.
What is the SMILES notation for [2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate?
The canonical SMILES for [2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate is CN1CCN(C2CCN(c3ccc(N)c(OC(N)=O)c3)CC2)CC1.
What is the InChIKey of [2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate?
The InChIKey is MBOHOWNQSPZMGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N5O2/c1-20-8-10-22(11-9-20)13-4-6-21(7-5-13)14-2-3-15(18)16(12-14)24-17(19)23/h2-3,12-13H,4-11,18H2,1H3,(H2,19,23).
What are the key properties of [2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate?
[2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate has a molecular weight of 333.44 g/mol, XLogP of 0.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-amino-5-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl] carbamate is sourced from PubChem (CID 175146069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).