3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine

C16H26N2OS — CID 79733009

IUPAC3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(C(c2cccs2)C2CC2)CC1
InChIInChI=1S/C16H26N2OS/c17-8-2-11-19-14-6-9-18(10-7-14)16(13-4-5-13)15-3-1-12-20-15/h1,3,12-14,16H,2,4-11,17H2
InChIKeyHIKPMSLHINDDEI-UHFFFAOYSA-N
MW294.46 g/mol
LogP3.03
Rot. Bonds7

About 3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine

3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine (PubChem CID 79733009) has the molecular formula C16H26N2OS and a molecular weight of 294.46 g/mol. Its IUPAC name is 3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine.

Molecular Properties

Compound Name3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine
PubChem CID79733009
Molecular FormulaC16H26N2OS
Molecular Weight294.46 g/mol
Exact Mass294.18
IUPAC Name3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine
SMILESNCCCOC1CCN(C(c2cccs2)C2CC2)CC1
InChIInChI=1S/C16H26N2OS/c17-8-2-11-19-14-6-9-18(10-7-14)16(13-4-5-13)15-3-1-12-20-15/h1,3,12-14,16H,2,4-11,17H2
InChIKeyHIKPMSLHINDDEI-UHFFFAOYSA-N
XLogP3.03
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.46
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[4-(3-aminopropoxy)piperidin-1-yl]-2-thiophen-2-ylpropan-1-one
CID 119662698
1-[4-(3-aminopropoxy)piperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 119662769
3-[1-(1-pyridin-4-ylethyl)piperidin-4-yl]oxypropan-1-amine
CID 79733015
3-[1-[1-(furan-2-yl)propyl]piperidin-4-yl]oxypropan-1-amine
CID 79732715
2-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]acetic acid
CID 79606463
1-[4-(3-aminopropoxy)piperidin-1-yl]-4-thiophen-2-ylbutane-1,4-dione;hydrochloride
CID 119661499
3-[1-[1-(2-bromophenyl)ethyl]piperidin-4-yl]oxypropan-1-amine
CID 79732026
N-[2-[4-(3-aminopropoxy)piperidin-1-yl]-2-oxoethyl]thiophene-2-sulfonamide;hydrochloride
CID 119663314
[1-[cyclopropyl(thiophen-2-yl)methyl]pyrrolidin-2-yl]methanamine
CID 115311689
4-[1-[4-(3-aminopropoxy)piperidin-1-yl]ethyl]benzonitrile
CID 79736036
N-[1-[4-(3-aminopropoxy)piperidin-1-yl]-1-oxopropan-2-yl]thiophene-2-sulfonamide
CID 119662992
3-[1-(1-benzothiophen-3-ylmethyl)piperidin-4-yl]oxypropan-1-amine
CID 79736177

Frequently Asked Questions

What is the IUPAC name of 3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
The IUPAC name of 3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine (CID 79733009) is 3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine.
What is the SMILES notation for 3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
The canonical SMILES for 3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine is NCCCOC1CCN(C(c2cccs2)C2CC2)CC1.
What is the InChIKey of 3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
The InChIKey is HIKPMSLHINDDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2OS/c17-8-2-11-19-14-6-9-18(10-7-14)16(13-4-5-13)15-3-1-12-20-15/h1,3,12-14,16H,2,4-11,17H2.
What are the key properties of 3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine?
3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine has a molecular weight of 294.46 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[cyclopropyl(thiophen-2-yl)methyl]piperidin-4-yl]oxypropan-1-amine is sourced from PubChem (CID 79733009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).