3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine

C24H43N3O — CID 54856258

IUPAC3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
SMILESCCCCCCCCCCOc1ccccc1CN1CCN(CCCN)CC1
InChIInChI=1S/C24H43N3O/c1-2-3-4-5-6-7-8-11-21-28-24-14-10-9-13-23(24)22-27-19-17-26(18-20-27)16-12-15-25/h9-10,13-14H,2-8,11-12,15-22,25H2,1H3
InChIKeyUCGIPFREQCRVJX-UHFFFAOYSA-N
MW389.63 g/mol
LogP4.67
Rot. Bonds15

About 3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine

3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine (PubChem CID 54856258) has the molecular formula C24H43N3O and a molecular weight of 389.63 g/mol. Its IUPAC name is 3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
PubChem CID54856258
Molecular FormulaC24H43N3O
Molecular Weight389.63 g/mol
Exact Mass389.34
IUPAC Name3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
SMILESCCCCCCCCCCOc1ccccc1CN1CCN(CCCN)CC1
InChIInChI=1S/C24H43N3O/c1-2-3-4-5-6-7-8-11-21-28-24-14-10-9-13-23(24)22-27-19-17-26(18-20-27)16-12-15-25/h9-10,13-14H,2-8,11-12,15-22,25H2,1H3
InChIKeyUCGIPFREQCRVJX-UHFFFAOYSA-N
XLogP4.67
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.63
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[4-[(2,4-dipentoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 54856337
1-methyl-4-[3-(2-pentoxyphenyl)propyl]piperazine
CID 170863422
3-[4-[(3-methoxy-2-propoxyphenyl)methyl]piperazin-1-yl]propan-1-amine
CID 54856112
1-[(2-butoxyphenyl)methyl]piperidin-4-amine
CID 39257236
3-[4-[[2-(2-ethoxyethoxy)-3-methoxyphenyl]methyl]piperazin-1-yl]propan-1-amine
CID 54855920
1-ethyl-2-heptoxybenzene
CID 22723794
1-[2-(2-octylphenoxy)ethyl]piperidine chloride
CID 21228798
1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1,4-diazepane
CID 91792612
[2-[3-(4-ethoxypiperidin-1-yl)propoxy]phenyl]methanamine
CID 61218601
1-butyl-2-nonoxybenzene
CID 118255282
1-heptyl-2-octadecoxybenzene
CID 139667653
1-octadecoxy-2-tridecylbenzene
CID 139667656

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine?
The IUPAC name of 3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine (CID 54856258) is 3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine.
What is the SMILES notation for 3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine?
The canonical SMILES for 3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine is CCCCCCCCCCOc1ccccc1CN1CCN(CCCN)CC1.
What is the InChIKey of 3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine?
The InChIKey is UCGIPFREQCRVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H43N3O/c1-2-3-4-5-6-7-8-11-21-28-24-14-10-9-13-23(24)22-27-19-17-26(18-20-27)16-12-15-25/h9-10,13-14H,2-8,11-12,15-22,25H2,1H3.
What are the key properties of 3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine?
3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine has a molecular weight of 389.63 g/mol, XLogP of 4.67, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-decoxyphenyl)methyl]piperazin-1-yl]propan-1-amine is sourced from PubChem (CID 54856258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).