1-[3-(2-propoxyethoxy)phenyl]piperidin-4-amine

C16H26N2O2 — CID 106455901

IUPAC1-[3-(2-propoxyethoxy)phenyl]piperidin-4-amine
SMILESCCCOCCOc1cccc(N2CCC(N)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-2-10-19-11-12-20-16-5-3-4-15(13-16)18-8-6-14(17)7-9-18/h3-5,13-14H,2,6-12,17H2,1H3
InChIKeyFBKBIGRRQUDABO-UHFFFAOYSA-N
MW278.40 g/mol
LogP2.42
Rot. Bonds7

About 1-[3-(2-propoxyethoxy)phenyl]piperidin-4-amine

1-[3-(2-propoxyethoxy)phenyl]piperidin-4-amine (PubChem CID 106455901) has the molecular formula C16H26N2O2 and a molecular weight of 278.40 g/mol. Its IUPAC name is 1-[3-(2-propoxyethoxy)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(2-propoxyethoxy)phenyl]piperidin-4-amine
PubChem CID106455901
Molecular FormulaC16H26N2O2
Molecular Weight278.40 g/mol
Exact Mass278.20
IUPAC Name1-[3-(2-propoxyethoxy)phenyl]piperidin-4-amine
SMILESCCCOCCOc1cccc(N2CCC(N)CC2)c1
InChIInChI=1S/C16H26N2O2/c1-2-10-19-11-12-20-16-5-3-4-15(13-16)18-8-6-14(17)7-9-18/h3-5,13-14H,2,6-12,17H2,1H3
InChIKeyFBKBIGRRQUDABO-UHFFFAOYSA-N
XLogP2.42
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.40
LogP ≤ 52.42
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

1-[3-(3-ethoxypropoxy)phenyl]piperidin-4-amine
CID 65181181
1-[3-[2-(2-methylpropoxy)ethoxy]phenyl]piperidin-4-amine
CID 106455900
1-[3-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine
CID 64565952
1-[3-(cyclopropylmethoxymethoxy)phenyl]piperidin-4-amine
CID 106930535
3-(3-propoxypropoxy)aniline
CID 43247836
1-(3-tetradecoxyphenyl)pyrrolidine
CID 54006267
[3-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]phenyl]methanamine
CID 167192586
1-(4-propoxyphenyl)pyrrolidin-3-amine
CID 62329191
2-[2-(3-morpholin-4-ylphenoxy)ethoxy]ethyl hypoiodite
CID 163276537
1-[6-(2-fluoroethoxy)naphthalen-2-yl]piperidin-4-amine
CID 80697557
(1R)-1-[3-(2-propoxyethoxy)phenyl]ethanamine
CID 106450340
[3-[3-(2-propoxyethoxy)propoxy]phenyl]methanamine
CID 55231654

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-propoxyethoxy)phenyl]piperidin-4-amine?
The IUPAC name of 1-[3-(2-propoxyethoxy)phenyl]piperidin-4-amine (CID 106455901) is 1-[3-(2-propoxyethoxy)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(2-propoxyethoxy)phenyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(2-propoxyethoxy)phenyl]piperidin-4-amine is CCCOCCOc1cccc(N2CCC(N)CC2)c1.
What is the InChIKey of 1-[3-(2-propoxyethoxy)phenyl]piperidin-4-amine?
The InChIKey is FBKBIGRRQUDABO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O2/c1-2-10-19-11-12-20-16-5-3-4-15(13-16)18-8-6-14(17)7-9-18/h3-5,13-14H,2,6-12,17H2,1H3.
What are the key properties of 1-[3-(2-propoxyethoxy)phenyl]piperidin-4-amine?
1-[3-(2-propoxyethoxy)phenyl]piperidin-4-amine has a molecular weight of 278.40 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-propoxyethoxy)phenyl]piperidin-4-amine is sourced from PubChem (CID 106455901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).