N-[(1-methylpyrrolidin-2-yl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)aniline

C19H32N4 — CID 112721153

IUPACN-[(1-methylpyrrolidin-2-yl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)aniline
SMILESCC(C)N1CCN(c2ccc(NCC3CCCN3C)cc2)CC1
InChIInChI=1S/C19H32N4/c1-16(2)22-11-13-23(14-12-22)18-8-6-17(7-9-18)20-15-19-5-4-10-21(19)3/h6-9,16,19-20H,4-5,10-15H2,1-3H3
InChIKeyOYMGYLSXHQWBNF-UHFFFAOYSA-N
MW316.49 g/mol
LogP2.72
Rot. Bonds5

About N-[(1-methylpyrrolidin-2-yl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)aniline

N-[(1-methylpyrrolidin-2-yl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)aniline (PubChem CID 112721153) has the molecular formula C19H32N4 and a molecular weight of 316.49 g/mol. Its IUPAC name is N-[(1-methylpyrrolidin-2-yl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)aniline.

Molecular Properties

Compound NameN-[(1-methylpyrrolidin-2-yl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)aniline
PubChem CID112721153
Molecular FormulaC19H32N4
Molecular Weight316.49 g/mol
Exact Mass316.26
IUPAC NameN-[(1-methylpyrrolidin-2-yl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)aniline
SMILESCC(C)N1CCN(c2ccc(NCC3CCCN3C)cc2)CC1
InChIInChI=1S/C19H32N4/c1-16(2)22-11-13-23(14-12-22)18-8-6-17(7-9-18)20-15-19-5-4-10-21(19)3/h6-9,16,19-20H,4-5,10-15H2,1-3H3
InChIKeyOYMGYLSXHQWBNF-UHFFFAOYSA-N
XLogP2.72
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.49
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-(piperidin-4-ylmethyl)-4-(4-propan-2-ylpiperazin-1-yl)aniline
CID 112721147
1-N-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]propane-1,2-diamine
CID 83955031
3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962864
4-ethylsulfonyl-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 106027245
4-[(4-methylpiperazin-1-yl)methyl]-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 112721063
N'-[4-(4-propan-2-ylpiperazin-1-yl)phenyl]butane-1,4-diamine
CID 83955073
4-[4-(4-propan-2-ylpiperazin-1-yl)anilino]butan-1-ol
CID 112721082
4-cyclopentyloxy-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62656703
4-cyclopentylsulfanyl-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 63445652
N-(cyclohexylmethyl)-4-piperidin-1-ylaniline
CID 43228030
1-methyl-N-[[(2R)-1-methylpyrrolidin-2-yl]methyl]pyrazol-4-amine
CID 155225172
N-[(1-methylpiperidin-2-yl)methyl]-4-pentylaniline
CID 63421140

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)aniline?
The IUPAC name of N-[(1-methylpyrrolidin-2-yl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)aniline (CID 112721153) is N-[(1-methylpyrrolidin-2-yl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)aniline.
What is the SMILES notation for N-[(1-methylpyrrolidin-2-yl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)aniline?
The canonical SMILES for N-[(1-methylpyrrolidin-2-yl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)aniline is CC(C)N1CCN(c2ccc(NCC3CCCN3C)cc2)CC1.
What is the InChIKey of N-[(1-methylpyrrolidin-2-yl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)aniline?
The InChIKey is OYMGYLSXHQWBNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4/c1-16(2)22-11-13-23(14-12-22)18-8-6-17(7-9-18)20-15-19-5-4-10-21(19)3/h6-9,16,19-20H,4-5,10-15H2,1-3H3.
What are the key properties of N-[(1-methylpyrrolidin-2-yl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)aniline?
N-[(1-methylpyrrolidin-2-yl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)aniline has a molecular weight of 316.49 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrrolidin-2-yl)methyl]-4-(4-propan-2-ylpiperazin-1-yl)aniline is sourced from PubChem (CID 112721153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).