1-[2-(3-amino-1-thiophen-2-ylpropoxy)phenyl]-4-phenylpiperidin-4-amine

C24H29N3OS — CID 139527786

IUPAC1-[2-(3-amino-1-thiophen-2-ylpropoxy)phenyl]-4-phenylpiperidin-4-amine
SMILESNCCC(Oc1ccccc1N1CCC(N)(c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C24H29N3OS/c25-15-12-22(23-11-6-18-29-23)28-21-10-5-4-9-20(21)27-16-13-24(26,14-17-27)19-7-2-1-3-8-19/h1-11,18,22H,12-17,25-26H2
InChIKeyHPZVKDMRPQGRIF-UHFFFAOYSA-N
MW407.58 g/mol
LogP4.67
Rot. Bonds7

About 1-[2-(3-amino-1-thiophen-2-ylpropoxy)phenyl]-4-phenylpiperidin-4-amine

1-[2-(3-amino-1-thiophen-2-ylpropoxy)phenyl]-4-phenylpiperidin-4-amine (PubChem CID 139527786) has the molecular formula C24H29N3OS and a molecular weight of 407.58 g/mol. Its IUPAC name is 1-[2-(3-amino-1-thiophen-2-ylpropoxy)phenyl]-4-phenylpiperidin-4-amine.

Molecular Properties

Compound Name1-[2-(3-amino-1-thiophen-2-ylpropoxy)phenyl]-4-phenylpiperidin-4-amine
PubChem CID139527786
Molecular FormulaC24H29N3OS
Molecular Weight407.58 g/mol
Exact Mass407.20
IUPAC Name1-[2-(3-amino-1-thiophen-2-ylpropoxy)phenyl]-4-phenylpiperidin-4-amine
SMILESNCCC(Oc1ccccc1N1CCC(N)(c2ccccc2)CC1)c1cccs1
InChIInChI=1S/C24H29N3OS/c25-15-12-22(23-11-6-18-29-23)28-21-10-5-4-9-20(21)27-16-13-24(26,14-17-27)19-7-2-1-3-8-19/h1-11,18,22H,12-17,25-26H2
InChIKeyHPZVKDMRPQGRIF-UHFFFAOYSA-N
XLogP4.67
TPSA64.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.58
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-3-[2-(2-methylspiro[3,4-dihydroisoquinoline-1,4'-piperidine]-1'-yl)phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 139527677
1-[2-[(1R)-3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]-4-(4-methoxyphenyl)-N-methylpiperidin-4-amine
CID 138724047
1'-[2-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]spiro[3,4-dihydro-2H-isoquinoline-1,4'-piperidine]-6-ol
CID 139527778
1-(2-methoxyphenyl)-4-(3-naphthalen-2-yloxy-3-thiophen-2-ylpropyl)piperazine
CID 10623767
[1-[[2-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-4-phenylpiperidin-4-yl]methanol
CID 146308829
3-(4-methoxyphenoxy)-3-thiophen-2-ylpropan-1-amine
CID 112501785
1-[[2-[3-(ethylamino)-1-thiophen-2-ylpropoxy]phenyl]methyl]-N,N-dimethyl-4-phenylpiperidin-4-amine
CID 138723905
3-[2-chloro-4-(trifluoromethyl)phenoxy]-3-thiophen-2-ylpropan-1-amine
CID 18926314
2-[2-(3-chloro-1-thiophen-2-ylpropoxy)phenyl]acetic acid
CID 138723899
1-[4-(2-propan-2-yloxyphenyl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 113077635
(1S)-1-thiophen-2-ylpropane-1,3-diamine
CID 130817446
2-thiophen-2-yl-2-(2,4,5-trichlorophenoxy)ethanamine
CID 55021133

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-amino-1-thiophen-2-ylpropoxy)phenyl]-4-phenylpiperidin-4-amine?
The IUPAC name of 1-[2-(3-amino-1-thiophen-2-ylpropoxy)phenyl]-4-phenylpiperidin-4-amine (CID 139527786) is 1-[2-(3-amino-1-thiophen-2-ylpropoxy)phenyl]-4-phenylpiperidin-4-amine.
What is the SMILES notation for 1-[2-(3-amino-1-thiophen-2-ylpropoxy)phenyl]-4-phenylpiperidin-4-amine?
The canonical SMILES for 1-[2-(3-amino-1-thiophen-2-ylpropoxy)phenyl]-4-phenylpiperidin-4-amine is NCCC(Oc1ccccc1N1CCC(N)(c2ccccc2)CC1)c1cccs1.
What is the InChIKey of 1-[2-(3-amino-1-thiophen-2-ylpropoxy)phenyl]-4-phenylpiperidin-4-amine?
The InChIKey is HPZVKDMRPQGRIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3OS/c25-15-12-22(23-11-6-18-29-23)28-21-10-5-4-9-20(21)27-16-13-24(26,14-17-27)19-7-2-1-3-8-19/h1-11,18,22H,12-17,25-26H2.
What are the key properties of 1-[2-(3-amino-1-thiophen-2-ylpropoxy)phenyl]-4-phenylpiperidin-4-amine?
1-[2-(3-amino-1-thiophen-2-ylpropoxy)phenyl]-4-phenylpiperidin-4-amine has a molecular weight of 407.58 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-amino-1-thiophen-2-ylpropoxy)phenyl]-4-phenylpiperidin-4-amine is sourced from PubChem (CID 139527786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).