(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine

C14H23N3 — CID 113242060

IUPAC(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C14H23N3/c1-3-14(15)12-4-6-13(7-5-12)17-10-8-16(2)9-11-17/h4-7,14H,3,8-11,15H2,1-2H3/t14-/m1/s1
InChIKeyCKMLRFFNWYOPFP-CQSZACIVSA-N
MW233.36 g/mol
LogP1.85
Rot. Bonds3

About (1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine

(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine (PubChem CID 113242060) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine.

Molecular Properties

Compound Name(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
PubChem CID113242060
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine
SMILESCC[C@@H](N)c1ccc(N2CCN(C)CC2)cc1
InChIInChI=1S/C14H23N3/c1-3-14(15)12-4-6-13(7-5-12)17-10-8-16(2)9-11-17/h4-7,14H,3,8-11,15H2,1-2H3/t14-/m1/s1
InChIKeyCKMLRFFNWYOPFP-CQSZACIVSA-N
XLogP1.85
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(4-piperidin-1-ylphenyl)propan-1-amine
CID 103694418
1-(4-morpholin-4-ylphenyl)propan-1-amine
CID 103693302
3-amino-3-[4-(4-methylpiperazin-1-yl)phenyl]propanamide
CID 170876139
(1S)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanamine;dihydrochloride
CID 67403541
1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]propan-1-amine
CID 102546786
1-[4-(4-methyl-3,6-dihydro-2H-pyridin-1-yl)phenyl]propan-1-amine
CID 114066337
1-ethyl-4-(4-propan-2-ylphenyl)piperazine;bis(1-methyl-4-(4-propan-2-ylphenyl)piperazine)
CID 158500114
1-[4-(3,5-dimethylpiperidin-1-yl)phenyl]propan-1-amine
CID 114065989
3-amino-1-[4-(4-methylpiperazin-1-yl)phenyl]propane-1,2-diol
CID 170828993
(1R)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine
CID 114066341
(1S)-1-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]phenyl]propan-1-amine
CID 114066342
1-methyl-4-(4-octan-4-ylphenyl)piperazine
CID 146185845

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine?
The IUPAC name of (1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine (CID 113242060) is (1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine.
What is the SMILES notation for (1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine?
The canonical SMILES for (1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine is CC[C@@H](N)c1ccc(N2CCN(C)CC2)cc1.
What is the InChIKey of (1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine?
The InChIKey is CKMLRFFNWYOPFP-CQSZACIVSA-N. The full InChI is InChI=1S/C14H23N3/c1-3-14(15)12-4-6-13(7-5-12)17-10-8-16(2)9-11-17/h4-7,14H,3,8-11,15H2,1-2H3/t14-/m1/s1.
What are the key properties of (1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine?
(1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine has a molecular weight of 233.36 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(4-methylpiperazin-1-yl)phenyl]propan-1-amine is sourced from PubChem (CID 113242060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).