3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine

C17H27N3O — CID 21473467

IUPAC3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(c2ccccc2OCC2CC2)CC1
InChIInChI=1S/C17H27N3O/c18-8-3-9-19-10-12-20(13-11-19)16-4-1-2-5-17(16)21-14-15-6-7-15/h1-2,4-5,15H,3,6-14,18H2
InChIKeyJYRIKSRPSBXMSK-UHFFFAOYSA-N
MW289.42 g/mol
LogP1.95
Rot. Bonds7

About 3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine

3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine (PubChem CID 21473467) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine
PubChem CID21473467
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine
SMILESNCCCN1CCN(c2ccccc2OCC2CC2)CC1
InChIInChI=1S/C17H27N3O/c18-8-3-9-19-10-12-20(13-11-19)16-4-1-2-5-17(16)21-14-15-6-7-15/h1-2,4-5,15H,3,6-14,18H2
InChIKeyJYRIKSRPSBXMSK-UHFFFAOYSA-N
XLogP1.95
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
4-[4-[2-(2-fluoroethoxy)phenyl]piperazin-1-yl]butan-1-amine
CID 51357649
3-[4-(2-phenoxyphenyl)piperazin-1-yl]propan-1-amine
CID 21136388
1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]-3-(methylaminomethyl)pyrrole-2,5-diol
CID 91091190
3-[(cyclopropylamino)methyl]-1-[3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propyl]pyrrolidine-2,5-dione;hydrochloride
CID 69434763
3-[4-(2-phenylphenyl)piperazin-1-yl]propan-1-amine
CID 140972357
4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethyl]cyclohexan-1-amine
CID 68812752
4-[4-(2-ethoxyphenyl)piperazin-1-yl]butanoic acid
CID 119134368
6-[4-(2-fluorophenyl)piperazin-1-yl]hexan-1-amine
CID 60918157
1-[3-(4-benzylpiperidin-1-yl)propyl]-4-(2-methoxyphenyl)piperazine
CID 127033889
1-(cyclopropylmethyl)-4-(2-methoxyphenyl)piperazine
CID 13035986
3-[4-(2-methylsulfonylphenyl)piperazin-1-yl]propan-1-amine
CID 60871423

Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine (CID 21473467) is 3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine is NCCCN1CCN(c2ccccc2OCC2CC2)CC1.
What is the InChIKey of 3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine?
The InChIKey is JYRIKSRPSBXMSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c18-8-3-9-19-10-12-20(13-11-19)16-4-1-2-5-17(16)21-14-15-6-7-15/h1-2,4-5,15H,3,6-14,18H2.
What are the key properties of 3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine?
3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine has a molecular weight of 289.42 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(cyclopropylmethoxy)phenyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 21473467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).