1-[3-(cyclopropylmethoxymethoxy)phenyl]piperidin-4-amine

C16H24N2O2 — CID 106930535

IUPAC1-[3-(cyclopropylmethoxymethoxy)phenyl]piperidin-4-amine
SMILESNC1CCN(c2cccc(OCOCC3CC3)c2)CC1
InChIInChI=1S/C16H24N2O2/c17-14-6-8-18(9-7-14)15-2-1-3-16(10-15)20-12-19-11-13-4-5-13/h1-3,10,13-14H,4-9,11-12,17H2
InChIKeyGOTLYQCMKWZEMA-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.38
Rot. Bonds6

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

1-[3-(cyclopropylmethoxymethoxy)phenyl]piperidin-4-amine (PubChem CID 106930535) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 1-[3-(cyclopropylmethoxymethoxy)phenyl]piperidin-4-amine.

Molecular Properties

Compound Name1-[3-(cyclopropylmethoxymethoxy)phenyl]piperidin-4-amine
PubChem CID106930535
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name1-[3-(cyclopropylmethoxymethoxy)phenyl]piperidin-4-amine
SMILESNC1CCN(c2cccc(OCOCC3CC3)c2)CC1
InChIInChI=1S/C16H24N2O2/c17-14-6-8-18(9-7-14)15-2-1-3-16(10-15)20-12-19-11-13-4-5-13/h1-3,10,13-14H,4-9,11-12,17H2
InChIKeyGOTLYQCMKWZEMA-UHFFFAOYSA-N
XLogP2.38
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

3-(cyclopropylmethoxymethoxy)aniline
CID 106928946
1-[3-(3-ethoxypropoxy)phenyl]piperidin-4-amine
CID 65181181
1-[3-(2-propoxyethoxy)phenyl]piperidin-4-amine
CID 106455901
1-[3-(3,3,3-trifluoropropoxy)phenyl]piperidin-4-amine
CID 64565952
1-[3-[2-(2-methylpropoxy)ethoxy]phenyl]piperidin-4-amine
CID 106455900
[3-(cyclopropylmethoxymethoxy)phenyl]methanol
CID 106929767
(1R)-1-[3-(cyclopropylmethoxymethoxy)phenyl]ethanamine
CID 106929329
1-[4-(cyclopropylmethoxymethoxy)phenyl]piperazine
CID 106930522
3-(cyclopropylmethoxymethoxy)benzenecarboximidamide
CID 106929697
3-(3-aminopyrrolidin-1-yl)benzonitrile
CID 62068386
1-(3-cyclobutylphenyl)piperidin-4-amine
CID 114605607
1-[6-(2-fluoroethoxy)naphthalen-2-yl]piperidin-4-amine
CID 80697557

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylmethoxymethoxy)phenyl]piperidin-4-amine?
The IUPAC name of 1-[3-(cyclopropylmethoxymethoxy)phenyl]piperidin-4-amine (CID 106930535) is 1-[3-(cyclopropylmethoxymethoxy)phenyl]piperidin-4-amine.
What is the SMILES notation for 1-[3-(cyclopropylmethoxymethoxy)phenyl]piperidin-4-amine?
The canonical SMILES for 1-[3-(cyclopropylmethoxymethoxy)phenyl]piperidin-4-amine is NC1CCN(c2cccc(OCOCC3CC3)c2)CC1.
What is the InChIKey of 1-[3-(cyclopropylmethoxymethoxy)phenyl]piperidin-4-amine?
The InChIKey is GOTLYQCMKWZEMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c17-14-6-8-18(9-7-14)15-2-1-3-16(10-15)20-12-19-11-13-4-5-13/h1-3,10,13-14H,4-9,11-12,17H2.
What are the key properties of 1-[3-(cyclopropylmethoxymethoxy)phenyl]piperidin-4-amine?
1-[3-(cyclopropylmethoxymethoxy)phenyl]piperidin-4-amine has a molecular weight of 276.38 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylmethoxymethoxy)phenyl]piperidin-4-amine is sourced from PubChem (CID 106930535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).