4-[4-[1-(4-amino-3-propylphenyl)piperidin-4-yl]piperidin-1-yl]-2-propylaniline

C28H42N4 — CID 118516780

IUPAC4-[4-[1-(4-amino-3-propylphenyl)piperidin-4-yl]piperidin-1-yl]-2-propylaniline
SMILESCCCc1cc(N2CCC(C3CCN(c4ccc(N)c(CCC)c4)CC3)CC2)ccc1N
InChIInChI=1S/C28H42N4/c1-3-5-23-19-25(7-9-27(23)29)31-15-11-21(12-16-31)22-13-17-32(18-14-22)26-8-10-28(30)24(20-26)6-4-2/h7-10,19-22H,3-6,11-18,29-30H2,1-2H3
InChIKeyFUJPACSIXKLGTQ-UHFFFAOYSA-N
MW434.67 g/mol
LogP5.89
Rot. Bonds7

About 4-[4-[1-(4-amino-3-propylphenyl)piperidin-4-yl]piperidin-1-yl]-2-propylaniline

4-[4-[1-(4-amino-3-propylphenyl)piperidin-4-yl]piperidin-1-yl]-2-propylaniline (PubChem CID 118516780) has the molecular formula C28H42N4 and a molecular weight of 434.67 g/mol. Its IUPAC name is 4-[4-[1-(4-amino-3-propylphenyl)piperidin-4-yl]piperidin-1-yl]-2-propylaniline.

Molecular Properties

Compound Name4-[4-[1-(4-amino-3-propylphenyl)piperidin-4-yl]piperidin-1-yl]-2-propylaniline
PubChem CID118516780
Molecular FormulaC28H42N4
Molecular Weight434.67 g/mol
Exact Mass434.34
IUPAC Name4-[4-[1-(4-amino-3-propylphenyl)piperidin-4-yl]piperidin-1-yl]-2-propylaniline
SMILESCCCc1cc(N2CCC(C3CCN(c4ccc(N)c(CCC)c4)CC3)CC2)ccc1N
InChIInChI=1S/C28H42N4/c1-3-5-23-19-25(7-9-27(23)29)31-15-11-21(12-16-31)22-13-17-32(18-14-22)26-8-10-28(30)24(20-26)6-4-2/h7-10,19-22H,3-6,11-18,29-30H2,1-2H3
InChIKeyFUJPACSIXKLGTQ-UHFFFAOYSA-N
XLogP5.89
TPSA58.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.67
LogP ≤ 55.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(4-amino-3-ethylphenyl)pyrrolidin-3-ol
CID 22034798
2-[2-amino-5-(4-propylazepan-1-yl)phenyl]acetonitrile
CID 102624388
2-amino-5-(4-cyclopropylpiperidin-1-yl)benzamide
CID 153382110
1-[4-amino-3-(aminomethyl)phenyl]pyrrolidin-3-ol
CID 82507359
4-(4-ethoxypiperidin-1-yl)benzene-1,2-diamine
CID 106750486
1-(4-amino-3-propoxyphenyl)piperidin-4-ol
CID 63672435
[2-amino-5-(4-methylpiperazin-1-yl)phenyl]methanol
CID 59473921
4-N-methyl-2-propylbenzene-1,4-diamine
CID 141261485
2-ethyl-5-(4-methylpiperazin-1-yl)aniline
CID 39244247
4-chloro-2-propylaniline
CID 23348961
4-(4-tert-butylpiperidin-1-yl)benzene-1,2-diamine
CID 106750697
2-[2-amino-5-[3-(dimethylamino)pyrrolidin-1-yl]phenyl]acetonitrile
CID 102624311

Frequently Asked Questions

What is the IUPAC name of 4-[4-[1-(4-amino-3-propylphenyl)piperidin-4-yl]piperidin-1-yl]-2-propylaniline?
The IUPAC name of 4-[4-[1-(4-amino-3-propylphenyl)piperidin-4-yl]piperidin-1-yl]-2-propylaniline (CID 118516780) is 4-[4-[1-(4-amino-3-propylphenyl)piperidin-4-yl]piperidin-1-yl]-2-propylaniline.
What is the SMILES notation for 4-[4-[1-(4-amino-3-propylphenyl)piperidin-4-yl]piperidin-1-yl]-2-propylaniline?
The canonical SMILES for 4-[4-[1-(4-amino-3-propylphenyl)piperidin-4-yl]piperidin-1-yl]-2-propylaniline is CCCc1cc(N2CCC(C3CCN(c4ccc(N)c(CCC)c4)CC3)CC2)ccc1N.
What is the InChIKey of 4-[4-[1-(4-amino-3-propylphenyl)piperidin-4-yl]piperidin-1-yl]-2-propylaniline?
The InChIKey is FUJPACSIXKLGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H42N4/c1-3-5-23-19-25(7-9-27(23)29)31-15-11-21(12-16-31)22-13-17-32(18-14-22)26-8-10-28(30)24(20-26)6-4-2/h7-10,19-22H,3-6,11-18,29-30H2,1-2H3.
What are the key properties of 4-[4-[1-(4-amino-3-propylphenyl)piperidin-4-yl]piperidin-1-yl]-2-propylaniline?
4-[4-[1-(4-amino-3-propylphenyl)piperidin-4-yl]piperidin-1-yl]-2-propylaniline has a molecular weight of 434.67 g/mol, XLogP of 5.89, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[1-(4-amino-3-propylphenyl)piperidin-4-yl]piperidin-1-yl]-2-propylaniline is sourced from PubChem (CID 118516780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).