N-[2-[4-[4-(3-methoxypropyl)phenyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine

C20H35N3O — CID 58658835

IUPACN-[2-[4-[4-(3-methoxypropyl)phenyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine
SMILESCCCN(C)CCN1CCN(c2ccc(CCCOC)cc2)CC1
InChIInChI=1S/C20H35N3O/c1-4-11-21(2)12-13-22-14-16-23(17-15-22)20-9-7-19(8-10-20)6-5-18-24-3/h7-10H,4-6,11-18H2,1-3H3
InChIKeyMKZPLSRHVKIYPO-UHFFFAOYSA-N
MW333.52 g/mol
LogP2.73
Rot. Bonds10

About N-[2-[4-[4-(3-methoxypropyl)phenyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine

N-[2-[4-[4-(3-methoxypropyl)phenyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine (PubChem CID 58658835) has the molecular formula C20H35N3O and a molecular weight of 333.52 g/mol. Its IUPAC name is N-[2-[4-[4-(3-methoxypropyl)phenyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[4-[4-(3-methoxypropyl)phenyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine
PubChem CID58658835
Molecular FormulaC20H35N3O
Molecular Weight333.52 g/mol
Exact Mass333.28
IUPAC NameN-[2-[4-[4-(3-methoxypropyl)phenyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine
SMILESCCCN(C)CCN1CCN(c2ccc(CCCOC)cc2)CC1
InChIInChI=1S/C20H35N3O/c1-4-11-21(2)12-13-22-14-16-23(17-15-22)20-9-7-19(8-10-20)6-5-18-24-3/h7-10H,4-6,11-18H2,1-3H3
InChIKeyMKZPLSRHVKIYPO-UHFFFAOYSA-N
XLogP2.73
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.52
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[4-(3-methoxypropyl)phenyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine?
The IUPAC name of N-[2-[4-[4-(3-methoxypropyl)phenyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine (CID 58658835) is N-[2-[4-[4-(3-methoxypropyl)phenyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine.
What is the SMILES notation for N-[2-[4-[4-(3-methoxypropyl)phenyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine?
The canonical SMILES for N-[2-[4-[4-(3-methoxypropyl)phenyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine is CCCN(C)CCN1CCN(c2ccc(CCCOC)cc2)CC1.
What is the InChIKey of N-[2-[4-[4-(3-methoxypropyl)phenyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine?
The InChIKey is MKZPLSRHVKIYPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35N3O/c1-4-11-21(2)12-13-22-14-16-23(17-15-22)20-9-7-19(8-10-20)6-5-18-24-3/h7-10H,4-6,11-18H2,1-3H3.
What are the key properties of N-[2-[4-[4-(3-methoxypropyl)phenyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine?
N-[2-[4-[4-(3-methoxypropyl)phenyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine has a molecular weight of 333.52 g/mol, XLogP of 2.73, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[4-(3-methoxypropyl)phenyl]piperazin-1-yl]ethyl]-N-methylpropan-1-amine is sourced from PubChem (CID 58658835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).