(4R)-4-(aminomethyl)-3-fluoropiperidine-1-carbaldehyde

C7H13FN2O — CID 145106903

IUPAC(4R)-4-(aminomethyl)-3-fluoropiperidine-1-carbaldehyde
SMILESNC[C@H]1CCN(C=O)CC1F
InChIInChI=1S/C7H13FN2O/c8-7-4-10(5-11)2-1-6(7)3-9/h5-7H,1-4,9H2/t6-,7?/m1/s1
InChIKeyBOSKBJHBVRRINR-ULUSZKPHSA-N
MW160.19 g/mol
LogP-0.24
Rot. Bonds2

About (4R)-4-(aminomethyl)-3-fluoropiperidine-1-carbaldehyde

(4R)-4-(aminomethyl)-3-fluoropiperidine-1-carbaldehyde (PubChem CID 145106903) has the molecular formula C7H13FN2O and a molecular weight of 160.19 g/mol. Its IUPAC name is (4R)-4-(aminomethyl)-3-fluoropiperidine-1-carbaldehyde.

Molecular Properties

Compound Name(4R)-4-(aminomethyl)-3-fluoropiperidine-1-carbaldehyde
PubChem CID145106903
Molecular FormulaC7H13FN2O
Molecular Weight160.19 g/mol
Exact Mass160.10
IUPAC Name(4R)-4-(aminomethyl)-3-fluoropiperidine-1-carbaldehyde
SMILESNC[C@H]1CCN(C=O)CC1F
InChIInChI=1S/C7H13FN2O/c8-7-4-10(5-11)2-1-6(7)3-9/h5-7H,1-4,9H2/t6-,7?/m1/s1
InChIKeyBOSKBJHBVRRINR-ULUSZKPHSA-N
XLogP-0.24
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.19
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-fluoropiperidine-1-carbaldehyde
CID 174684436
(3S)-3-fluoropyrrolidine-1-carbaldehyde
CID 118450648
3,4-difluoropyrrolidine-1-carbaldehyde
CID 87779291
CID 143964193
CID 143964193
3-hydroxypyrrolidine-1-carbaldehyde
CID 14456871
(3R)-1-formylpyrrolidine-3-carboxylic acid
CID 90895028
1-formylpyrrolidine-3-carbonitrile
CID 87315221
3-(hydroxymethyl)pyrrolidine-1-carbaldehyde
CID 62372559
3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbaldehyde
CID 64992278
3-butan-2-ylpyrrolidine-1-carbaldehyde
CID 143846551
3-(azetidin-1-yl)pyrrolidine-1-carbaldehyde
CID 156595075
(3S)-3-pyrrolidin-1-ylpyrrolidine-1-carbaldehyde
CID 87225922

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(aminomethyl)-3-fluoropiperidine-1-carbaldehyde?
The IUPAC name of (4R)-4-(aminomethyl)-3-fluoropiperidine-1-carbaldehyde (CID 145106903) is (4R)-4-(aminomethyl)-3-fluoropiperidine-1-carbaldehyde.
What is the SMILES notation for (4R)-4-(aminomethyl)-3-fluoropiperidine-1-carbaldehyde?
The canonical SMILES for (4R)-4-(aminomethyl)-3-fluoropiperidine-1-carbaldehyde is NC[C@H]1CCN(C=O)CC1F.
What is the InChIKey of (4R)-4-(aminomethyl)-3-fluoropiperidine-1-carbaldehyde?
The InChIKey is BOSKBJHBVRRINR-ULUSZKPHSA-N. The full InChI is InChI=1S/C7H13FN2O/c8-7-4-10(5-11)2-1-6(7)3-9/h5-7H,1-4,9H2/t6-,7?/m1/s1.
What are the key properties of (4R)-4-(aminomethyl)-3-fluoropiperidine-1-carbaldehyde?
(4R)-4-(aminomethyl)-3-fluoropiperidine-1-carbaldehyde has a molecular weight of 160.19 g/mol, XLogP of -0.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(aminomethyl)-3-fluoropiperidine-1-carbaldehyde is sourced from PubChem (CID 145106903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).